SCHEMBL14274689

SCHEMBL14274689

CCC(C)CCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC1C(=O)N(C)CC(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(OC)C(=O)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(C)CC(=O)O)C(=O)NC(C(C)C)C(=O)OC1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.63
▸ DRD1 P21728 1/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ PDE4A P27815 1/20 0.63
▸ KEAP1 Q14145 2/20 0.40
▸ KCNMA1 Q12791 1/20 0.38
▸ KCNMB4 Q86W47 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ IL23R Q5VWK5 9/20 0.38
▸ NECTIN4 Q96NY8 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GLP1R P43220 1/20 0.37

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
SCHEMBL14274800 0.98 CTSL (0.65) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274678 0.98 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274720 0.97 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274719 0.97 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274729 0.97 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274721 0.96 CTSL (0.65) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274770 0.96 CTSL (0.61) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274698 0.96 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274888 0.95 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274651 0.95 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 — — 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 (1 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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP CTSL 49/4885DRD1 3359/4885PTGS1 765/4885

“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.

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