SCHEMBL6449342

SCHEMBL6449342

CON(Cc1ccc(C)c(F)c1)C(=O)/C=C1\OC(C)(C)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MITF O75030 1/20 0.30
HTT P42858 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
DAO P14920 1/20 0.30
MEP1B Q16820 1/20 0.30

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
SCHEMBL6076755 1.00 ALDH1A1 (0.32) ALDH1A1HSD17B10L3MBTL1FFAR4KDM4E
SCHEMBL6447970 0.92 ALDH1A1 (0.34) ALDH1A1HSD17B10FFAR4DAO
SCHEMBL6078326 0.92 ALDH1A1 (0.34) ALDH1A1HSD17B10FFAR4DAO
SCHEMBL6077017 0.92 RIPK1 (0.36) ALDH1A1HSD17B10L3MBTL1KDM4EMITF
SCHEMBL6870225 0.92 RIPK1 (0.36) ALDH1A1HSD17B10L3MBTL1KDM4EMITF
SCHEMBL6077279 0.87 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6077756 0.87 CYP1A2 (0.36) ALDH1A1HSD17B10KDM4E
SCHEMBL6077936 0.87 CYP1A2 (0.36) ALDH1A1HSD17B10KDM4E
SCHEMBL6076895 0.87 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6077514 0.86 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 ALDH1A1 640/4885HSD17B10 167/4885L3MBTL1 790/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 ALDH1A1 976/4885HSD17B10 718/4885L3MBTL1 480/4885

“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.