SCHEMBL18068435

SCHEMBL18068435

N=C(N)Nc1cccc(C(=O)Nc2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.63
ITGA4 P13612 20/20 0.63
ITGA2 P17301 1/20 0.63
ITGB7 P26010 1/20 0.63

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
SCHEMBL7378185 0.89 ITGB3 (0.57) ITGB1
SCHEMBL7378190 0.89 ITGB3 (0.57) ITGB1
SCHEMBL7377326 0.86 ITGB1 (0.70) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7377320 0.86 ITGB1 (0.70) ITGB1ITGA4ITGA2ITGB7
SCHEMBL18068487 0.86 ITGB1 (0.58) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7376050 0.84 ITGB3 (0.61) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7376058 0.84 ITGB3 (0.61) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7382025 0.84 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7372895 0.84 ITGB1 (0.73) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6563221 0.83 ITGB1 (0.63) ITGB1ITGA4ITGA2ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278952-A1 Compounds Useful for Treating Liver Diseases ABIONYX PHARMA SA (FR) 2023-09-07 US disclosed
US-20230008367-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES ABIONYX PHARMA SA (FR) 2023-01-12 US disclosed
US-20210300890-A1 Compounds Useful for Treating Liver Diseases ABIONYX PHARMA SA (FR) 2021-09-30 US disclosed
WO-2016145258-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-15 WO disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 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-20230278952-A1 Compounds Useful for Treating Liver Diseases SLC10A1, FABP1, CPT1A ITGB1 2547/4885ITGA4 2468/4885ITGA2 2581/4885
US-20210300890-A1 Compounds Useful for Treating Liver Diseases SLC10A1, FABP1, CPT1A ITGB1 2547/4885ITGA4 2468/4885ITGA2 2581/4885
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ITGB1 1/4885ITGA4 10/4885ITGA2 6/4885
US-20230008367-A1 COMPOUNDS USEFUL FOR TREATING LIVER DISEASES SLC10A1, CPT1A, CES1 ITGB1 2402/4885ITGA4 3227/4885ITGA2 3022/4885

“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.