SCHEMBL29601955

SCHEMBL29601955

CCC(F)(F)c1cc(F)c(Cl)cc1O[C@@H](C)C(=O)[O-].[Na+]

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 1/20 0.30
PPOX P50336 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
PPARA Q07869 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
HIF1A Q16665 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL28677988 0.88 PTGDR2 (0.42) PPOXPTGDR2SMN1; SMN2PPARGPPARA
SCHEMBL29365346 0.88 PTGDR2 (0.42) PPOXPTGDR2SMN1; SMN2PPARGPPARA
SCHEMBL28677987 0.88 PTGDR2 (0.42) PPOXPTGDR2SMN1; SMN2PPARGPPARA
SCHEMBL22823920 0.85 PPOX (0.39) PPOXPTGDR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL28672447 0.82 PTGDR2 (0.42) PPOXPTGDR2SMN1; SMN2PPARGPPARA
SCHEMBL28672449 0.82 PTGDR2 (0.42) PPOXPTGDR2SMN1; SMN2PPARGPPARA
SCHEMBL28694767 0.81 PPARG (0.38) PTGDR2MRGPRX4PPARGPPARA
SCHEMBL28694764 0.81 PPARG (0.38) PTGDR2MRGPRX4PPARGPPARA
SCHEMBL29367488 0.81 PPARG (0.38) PTGDR2MRGPRX4PPARGPPARA
SCHEMBL28931585 0.78 PTGDR2 (0.44) PTGDR2SMN1; SMN2PPARGALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415771-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2025-09-16 US disclosed
EP-3986852-B1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2024-10-16 EP disclosed
US-20220388938-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2022-12-08 US disclosed
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 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 (2 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-20220388938-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS RYR1, CACNB1, SMN1; SMN2 PPARG 3395/4885PPOX 3561/4885PTGDR2 2994/4885
US-12415771-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, SMN1; SMN2 PPARG 3395/4885PPOX 3561/4885PTGDR2 2994/4885

“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.