Taurochenodeoxycholate

Taurochenodeoxycholate

SCHEMBL20261732

CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.[Na+]

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Taurochenodeoxycholate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.70
CA2 known ✓ P00918 3/20 0.70
NR3C1 known ✓ P04150 1/20 0.69
GPBAR1 Q8TDU6 8/20 0.84
NR1H4 Q96RI1 5/20 0.84
SLC10A2 Q12908 3/20 0.84
ABCB11 O95342 2/20 0.84
ENPP2 Q13822 2/20 0.84
ABCC4 O15439 1/20 0.84
PLA2G1B P04054 1/20 0.84
TSHR P16473 1/20 0.82
RAB9A P51151 1/20 0.82
LMNA P02545 1/20 0.82
BLM P54132 1/20 0.82
SLC10A1 Q14973 3/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Taurochenodeoxycholate SCHEMBL29461502 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL29481129 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL60947 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9222712 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL10695689 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL10695686 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL30341854 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL60964 1.00 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9070400 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2
Taurochenodeoxycholate SCHEMBL9068987 0.98 GPBAR1 (0.84) GPBAR1NR1H4SLC10A2ABCB11ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION ERESINA LLC (US) 2026-04-16 US disclosed
US-20260085364-A1 USE OF BIOMARKERS IN TREATMENT WITH BIFIDOBACTERIA INT N&H DENMARK APS (DK) 2026-03-26 US disclosed
CN-119000956-A Kit for simultaneously detecting 15 bile acid spectrums and 3 bile acid precursors in serum and detection method 上海捷易生物科技有限公司 2024-11-22 CN disclosed
US-20240325458-A1 COMPOSITION FOR PRODUCING BILE ACIDS KEIO UNIVERSITY (JP) 2024-10-03 US disclosed
CN-115279889-B Composition for producing bile acid 庆应义塾 2024-09-10 CN disclosed
CN-118566354-A Method for detecting related substances in tauroursodeoxycholic acid 四川澄华生物科技有限公司 2024-08-30 CN disclosed
CN-116672349-A Pharmaceutical composition for treating or improving polycystic ovary syndrome 澳门科技大学 2023-09-01 CN disclosed
CN-113604446-B Mutant R16Q of 7 alpha-hydroxysteroid dehydrogenase St-2-2 重庆大学 2023-04-07 CN disclosed
CN-112251418-B Enzyme for specifically catalyzing CDCA and conjugate thereof and application thereof 重庆大学 2023-01-24 CN disclosed
CN-112175918-B 7 alpha-hydroxysteroid dehydrogenase mutant St-2-2 delta C10 and application thereof 重庆大学 2023-01-24 CN disclosed
CN-113143937-B Application of taurine sodium deoxycholate in prevention and treatment of weightlessness muscular atrophy 中国航天员科研训练中心 2022-09-06 CN disclosed
CN-113430183-B Mutants of 7 alpha-hydroxysteroid dehydrogenase St-2-2T15G, T15S and T15A 重庆大学 2022-08-23 CN disclosed
CN-113604446-A Mutant of 7 alpha-hydroxysteroid dehydrogenase St-2-2R16Q 重庆大学 2021-11-05 CN disclosed
CN-113430183-A Mutants of 7 alpha-hydroxysteroid dehydrogenase St-2-2T15G, T15S and T15A 重庆大学 2021-09-24 CN disclosed
CN-113143937-A Application of taurine sodium deoxycholate in prevention and treatment of weightlessness muscular atrophy 中国航天员科研训练中心 2021-07-23 CN disclosed
CN-112322596-A 7 alpha-hydroxysteroid dehydrogenase mutant J-1-1 delta C6 and application thereof 重庆大学 2021-02-05 CN disclosed
CN-112251418-A Enzyme for specifically catalyzing CDCA and conjugate thereof and application thereof 重庆大学 2021-01-22 CN disclosed
CN-112175918-A 7 alpha-hydroxysteroid dehydrogenase mutant St-2-2 delta C10 and application thereof 重庆大学 2021-01-05 CN disclosed
WO-2018109188-A1 COMPOUNDS FOR TREATING X-LINKED ADRENOLEUKODYSTROPHY FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA DE BELLVITGE (IDIBELL) (ES) 2018-06-21 WO disclosed
EP-3335730-A1 COMPOUNDS FOR TREATING X-LINKED ADRENOLEUKODYSTROPHY Fundació Institut de Recerca Biomédica de Bellvitge (IDIBELL) (ES) 2018-06-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240325458-A1 COMPOSITION FOR PRODUCING BILE ACIDS CYP46A1, CYP7A1, HSD17B12 CA1 1281/4885CA2 1066/4885NR3C1 3298/4885
US-20260085364-A1 USE OF BIOMARKERS IN TREATMENT WITH BIFIDOBACTERIA FABP2, ALPI, CES1 CA1 1256/4885CA2 1096/4885NR3C1 904/4885
US-20260102359-A1 COMBINATION TREATMENT OF DERMAL AND TRANSDERMAL FIBROTIC DISEASES, DISORDERS AND ASSOCIATED PAIN AND INFLAMMATION COL2A1, COLGALT1, PLOD3 CA1 2690/4885CA2 348/4885NR3C1 1382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.