SCHEMBL14274802

SCHEMBL14274802

CCCCCCCCCC(=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(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)CC)C(=O)OC1C

nearest known ligand 0.78

Predicted protein targets (top 20)

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 0.40
▸ F2 P00734 1/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ EPHA2 P29317 2/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ KCNMB4 Q86W47 1/20 0.38
▸ NECTIN4 Q96NY8 4/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PRLHR P49683 1/20 0.37
▸ CTSG P08311 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ IL23R Q5VWK5 1/20 0.36
▸ SHH Q15465 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.36

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
SCHEMBL14274880 0.97 CTSL (0.74) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274789 0.97 CTSL (0.79) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274786 0.97 CTSL (0.73) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274774 0.96 CTSL (0.73) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274815 0.94 CTSL (0.69) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274787 0.94 CTSL (0.74) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274805 0.94 CTSL (0.73) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274812 0.94 CTSL (0.69) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274790 0.94 CTSL (0.69) CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274778 0.94 CTSL (0.73) CTSLDRD1PTGS1PDE4AF2

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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