SCHEMBL14274780

SCHEMBL14274780

CCC(C)CCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.78
▸ DRD1 P21728 1/20 0.78
▸ PTGS1 P23219 1/20 0.78
▸ PDE4A P27815 1/20 0.78
▸ OXTR P30559 2/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ NECTIN4 Q96NY8 4/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ KCNMB4 Q86W47 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KEAP1 Q14145 2/20 0.39
▸ PRLHR P49683 1/20 0.39
▸ EPHA2 P29317 2/20 0.39
▸ F11 P03951 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ IL23R Q5VWK5 1/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ CTSG P08311 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
SCHEMBL14274608 0.99 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274629 0.99 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274566 0.98 CTSL (0.82) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274565 0.98 CTSL (0.82) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274709 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274761 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274624 0.97 CTSL (0.74) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274794 0.97 CTSL (0.74) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274737 0.97 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274752 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR

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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