Sugi Predict

Sugi Predict / Compounds / SCHEMBL6077756

SCHEMBL6077756

SCHEMBL6077756

CON(Cc1ccc(F)c(Br)c1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 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
SCHEMBL6077936 1.00 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6870225 0.91 RIPK1 (0.36) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL6077017 0.91 RIPK1 (0.36) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL6447970 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6078326 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL6076895 0.88 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6077279 0.88 RPA1 (0.33) ALDH1A1HSD17B10
SCHEMBL6449342 0.87 ALDH1A1 (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL6076755 0.87 ALDH1A1 (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL6078183 0.85 PGR (0.33) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 — — US claimed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 — — US claimed
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 — — US 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-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 — — US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 — — WO 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF CYP1A2 483/4885CYP2D6 1226/4885CYP2C9 1555/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 CYP1A2 1000/4885CYP2D6 1349/4885CYP2C9 1601/4885

“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.