SCHEMBL14274864

SCHEMBL14274864

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(C(OC)C(=O)O)C(=O)NCC(=O)NC(C)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 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.57
DRD1 P21728 1/20 0.57
PTGS1 P23219 1/20 0.57
PDE4A P27815 1/20 0.57
KEAP1 Q14145 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
EPHA2 P29317 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
NR3C1 P04150 1/20 0.37
F2 P00734 1/20 0.37
GLP1R P43220 5/20 0.37
NECTIN4 Q96NY8 2/20 0.37
KCNMA1 Q12791 1/20 0.36
KCNMB4 Q86W47 1/20 0.36
RXFP4 Q8TDU9 1/20 0.36
RXFP3 Q9NSD7 1/20 0.36
IL23R Q5VWK5 2/20 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
SCHEMBL14274877 0.98 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274875 0.97 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274867 0.97 CTSL (0.61) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274884 0.97 CTSL (0.53) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274850 0.97 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274725 0.96 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274694 0.96 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274724 0.96 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274866 0.96 CTSL (0.55) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274843 0.96 CTSL (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
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 (2 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
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885DRD1 3591/4885PTGS1 2910/4885

“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.