SCHEMBL14274885

SCHEMBL14274885

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.69
▸ DRD1 P21728 1/20 0.69
▸ PTGS1 P23219 1/20 0.69
▸ PDE4A P27815 1/20 0.69
▸ TSLP Q969D9 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ KEAP1 Q14145 2/20 0.41
▸ KCNMA1 Q12791 1/20 0.40
▸ KCNMB4 Q86W47 1/20 0.40
▸ IL23R Q5VWK5 3/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ NECTIN4 Q96NY8 3/20 0.38
▸ SSTR1 P30872 2/20 0.38
▸ SSTR2 P30874 2/20 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
SCHEMBL14274628 0.97 CTSL (0.73) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274894 0.97 CTSL (0.67) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274613 0.97 CTSL (0.73) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274600 0.96 CTSL (0.75) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274609 0.96 CTSL (0.75) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274869 0.95 CTSL (0.64) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274781 0.95 CTSL (0.73) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274704 0.95 CTSL (0.73) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274871 0.95 CTSL (0.68) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL14274657 0.95 CTSL (0.70) CTSLDRD1PTGS1PDE4ATSLP

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.

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