SCHEMBL14274751

SCHEMBL14274751

CCC(C)CCCCCCC(=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(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(C(C)CC(=O)O)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OC1C

nearest known ligand 0.78

Predicted protein targets (top 17)

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 0.43
NECTIN4 Q96NY8 6/20 0.43
SSTR2 P30874 3/20 0.41
SSTR1 P30872 2/20 0.41
SSTR4 P31391 2/20 0.41
SSTR3 P32745 2/20 0.41
SSTR5 P35346 2/20 0.41
KCNMA1 Q12791 1/20 0.41
KCNMB4 Q86W47 1/20 0.41
EPHA2 P29317 1/20 0.41
FLT1 P17948 1/20 0.41
IL23R Q5VWK5 3/20 0.41
TSLP Q969D9 1/20 0.40

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
SCHEMBL14274754 1.00 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274585 0.99 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274591 0.99 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274567 0.97 CTSL (0.82) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274563 0.97 CTSL (0.82) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274795 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274738 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274758 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274752 0.97 CTSL (0.78) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274722 0.96 CTSL (0.72) 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.