Sugi Predict

Sugi Predict / Compounds / SCHEMBL349159

SCHEMBL349159

SCHEMBL349159

CCCCC(C=O)(CCCC)CS(=O)(=O)c1ccc(F)cc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.37
▸ CYP19A1 P11511 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HIF1A Q16665 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
SCHEMBL12196413 0.96 CCR2 (0.36) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12196411 0.96 CCR2 (0.36) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL19789884 0.89 CCR2 (0.36) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12196406 0.84 CCR2 (0.36) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL13620299 0.81 CCR2 (0.43) CCR2CYP19A1ALDH1A1LMNACYP1A2
SCHEMBL6202633 0.81 ALDH1A1 (0.40) CYP19A1ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL19789756 0.80 CCR2 (0.37) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL349616 0.78 DDR1 (0.34) TSHRMAPK1
SCHEMBL6203147 0.77 RET (0.33) GPR55MAPT
SCHEMBL19789692 0.76 CCR2 (0.37) CCR2CYP19A1ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCR2 3739/4885CYP19A1 346/4885ALDH1A1 1261/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 CCR2 2402/4885CYP19A1 714/4885ALDH1A1 680/4885

“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.