SCHEMBL5279103

SCHEMBL5279103

O=C(O)CC(CSc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
PLA2G10 O15496 2/20 0.47
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
MMP2 P08253 3/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 3/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
BACE1 P56817 7/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G2A P14555 2/20 0.41

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
SCHEMBL9558884 0.85 PLA2G2A (0.49) ANPEPPLA2G10CPA3BACE1PLA2G2A
SCHEMBL9558971 0.85 ANPEP (0.46) ANPEPPLA2G10MMP2MMP3MMP9
SCHEMBL5275561 0.81 GABBR2 (0.49) ANPEPPLA2G10BACE1CYP3A4CYP2C9
SCHEMBL11863917 0.78 KIF11 (0.58) ANPEPBACE1CYP3A4CYP2C9CYP2C19
SCHEMBL11863901 0.78 KIF11 (0.58) ANPEPBACE1CYP3A4CYP2C9CYP2C19
SCHEMBL9558477 0.77 PLA2G2A (0.45) ANPEPPLA2G10BACE1CYP3A4CYP2C9
SCHEMBL9850035 0.75 CAPN1 (0.44) ANPEPPLA2G10BACE1CYP3A4CYP2C9
SCHEMBL1420805 0.75 ANPEP (0.67) ANPEP
SCHEMBL7089333 0.75 CPA1 (0.67) CPA1CPB1CPA3CPB2
SCHEMBL7386200 0.75 CPA1 (0.67) CPA1CPB1CPA3CPB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856074-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS Amgen, Inc (US) 2007-11-21 EP disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO 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-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 ANPEP 1930/4885PLA2G10 2239/4885CPA1 2284/4885

“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.