Sugi Predict

Sugi Predict / Compounds / SCHEMBL348654

SCHEMBL348654

SCHEMBL348654

Cc1ccc(N=C=S)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ APLNR P35414 1/20 0.33

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
SCHEMBL14207004 0.85 NAAA (0.36) ALDH1A1CYP1A2LMNAACHEMAPT
SCHEMBL12011023 0.85 NAAA (0.36) ALDH1A1CYP1A2LMNAACHEMAPT
SCHEMBL18499502 0.85 NFE2L2 (0.57) NFE2L2
SCHEMBL12754487 0.85 NFE2L2 (0.57) NFE2L2
SCHEMBL15221620 0.84 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4ADRA2ANFE2L2
SCHEMBL14015552 0.83 GRM5 (0.36) ALDH1A1CYP2A6
SCHEMBL14015555 0.81 NFE2L2 (0.53) ALDH1A1CYP1A2CYP3A4NFE2L2HPGD
SCHEMBL526849 0.80 CYP3A4 (0.45) ALDH1A1CYP1A2CYP3A4ADRA2ANFE2L2
SCHEMBL31408160 0.80 CYP3A4 (0.45) ALDH1A1CYP1A2CYP3A4ADRA2ANFE2L2
SCHEMBL156589 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4ADRA2ANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 — — EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 — — US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 — — US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 — — EP 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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 ALDH1A1 1261/4885CYP1A2 565/4885CYP3A4 592/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 ALDH1A1 680/4885CYP1A2 851/4885CYP3A4 562/4885

“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.