SCHEMBL29646240

SCHEMBL29646240

CO[C@H]1C[C@@H](COC2CCC(C(=O)[O-])CC2)N(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2Cl)C1.[Na+]

nearest known ligand 0.89

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 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.89
ITGA4 P13612 20/20 0.89

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
SCHEMBL3571480 1.00 ITGB1 (0.89) ITGB1ITGA4
SCHEMBL14263692 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL13437466 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL12863716 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14254439 0.92 ITGB1 (0.87) ITGB1ITGA4
SCHEMBL14254446 0.92 ITGB1 (0.87) ITGB1ITGA4
SCHEMBL13462334 0.92 ITGB1 (0.86) ITGB1ITGA4
SCHEMBL3575873 0.92 ITGB1 (0.86) ITGB1ITGA4
SCHEMBL14254458 0.92 ITGB1 (0.86) ITGB1ITGA4
SCHEMBL24945374 0.92 ITGA4 (0.86) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665322-A1 DYSREGULATION OF PLANKTONIC BACTERIAL METABOLISM Neolixir Limited (AU) 2025-12-24 EP disclosed
US-12419619-B2 Aspiration device YALE UNIVERSITY (US) 2025-09-23 US disclosed
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION Lixa Limited (AU) 2024-12-05 US disclosed
WO-2024229525-A1 DYSREGULATION OF PLANKTONIC BACTERIAL METABOLISM Neolixir Limited (AU) 2024-11-14 WO disclosed
EP-4429651-A1 METHODS FOR BIOFILM DISRUPTION Neolixir Limited (AU) 2024-09-18 EP disclosed
CN-118251216-A Method for biofilm disruption 尼尔利希尔有限公司 2024-06-25 CN disclosed
EP-4360567-A2 ASPIRATION DEVICE Yale University (US) 2024-05-01 EP disclosed
EP-3528709-B1 ASPIRATION DEVICE UNIV YALE (US) 2023-12-06 EP disclosed
US-20230312700-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A TNF INHIBITOR GLAS USA LLC 2023-10-05 US disclosed
WO-2023081974-A1 METHODS FOR BIOFILM DISRUPTION Neolixir Pty Ltd (AU) 2023-05-19 WO disclosed
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 US disclosed
US-20230045633-A1 METHOD FOR REDUCING LUNG INFLAMMATION Respirion Pharmaceuticals Pty Ltd (AU) 2023-02-09 US disclosed
US-20230041197-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOMODULATOR GLAS USA LLC 2023-02-09 US disclosed
US-11491126-B2 Method for reducing lung inflammation Respirion Pharmaceuticals Pty Ltd (AU) 2022-11-08 US disclosed
US-11382884-B2 Method for reducing lung infection Respirion Pharmaceuticals Pty Ltd (CA) 2022-07-12 US disclosed
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 US 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 (4 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-20230041197-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOMODULATOR FABP2, IL2, TSLP ITGB1 2828/4885ITGA4 1312/4885
US-20240397944-A1 METHODS FOR BIOFILM DISRUPTION FGB, MMP8, HAO2 ITGB1 142/4885ITGA4 351/4885
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 ITGB1 3708/4885ITGA4 3409/4885
US-20230312700-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A TNF INHIBITOR TNF, TNFRSF1A, FABP2 ITGB1 3963/4885ITGA4 3869/4885

“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.