SCHEMBL14274907

SCHEMBL14274907

CCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(C)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 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.80
▸ DRD1 P21728 1/20 0.80
▸ PTGS1 P23219 1/20 0.80
▸ PDE4A P27815 1/20 0.80
▸ F2 P00734 1/20 0.42
▸ KEAP1 Q14145 2/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ KCNMB4 Q86W47 1/20 0.41
▸ EPHA2 P29317 2/20 0.40
▸ NECTIN4 Q96NY8 4/20 0.40
▸ OXTR P30559 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ TSLP Q969D9 1/20 0.39
▸ RXFP4 Q8TDU9 4/20 0.39
▸ RXFP3 Q9NSD7 4/20 0.39
▸ F11 P03951 1/20 0.39
▸ SHH Q15465 1/20 0.39

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
SCHEMBL14274896 0.98 CTSL (0.77) CTSLDRD1PTGS1PDE4AF2
SCHEMBL8235984 0.98 CTSL (0.84) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274891 0.96 CTSL (0.75) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274890 0.95 CTSL (0.74) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274582 0.94 CTSL (0.78) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274580 0.94 CTSL (0.78) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274576 0.94 CTSL (0.78) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274613 0.94 CTSL (0.73) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14300849 0.94 CTSL (0.77) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274619 0.94 CTSL (0.75) 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 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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