SCHEMBL14274672

SCHEMBL14274672

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ PDE4A P27815 1/20 0.61
▸ KEAP1 Q14145 2/20 0.41
▸ NECTIN4 Q96NY8 4/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.39
▸ KCNMB4 Q86W47 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ PRLHR P49683 1/20 0.38
▸ TSLP Q969D9 1/20 0.38

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
SCHEMBL14274669 0.98 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274671 0.97 CTSL (0.62) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274684 0.97 CTSL (0.65) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274639 0.97 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274666 0.95 CTSL (0.67) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274680 0.95 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274864 0.95 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274670 0.95 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274652 0.95 CTSL (0.55) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274850 0.95 CTSL (0.60) 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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