Sugi Predict

Sugi Predict / Compounds / SCHEMBL1615445

SCHEMBL1615445

SCHEMBL1615445

O=S(=O)(Cl)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ FKBP1A P62942 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 2/20 0.46
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ HSD17B3 P37058 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42

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
SCHEMBL24732420 0.80 CA1 (0.53) ALDH1A1MAPK1CYP3A4CYP2C9CA1
SCHEMBL20490053 0.79 PTPN1 (0.52) ALDH1A1MAPK1CYP3A4CYP2C9CA1
SCHEMBL3365092 0.78 CA1 (0.64) ALDH1A1MAPK1CYP3A4CA1CA2
SCHEMBL21033855 0.78 CA1 (0.52) ALDH1A1MAPK1CYP3A4CYP2C9CA1
SCHEMBL3364543 0.77 CA1 (0.68) MAPK1CA1CA2KMT2AMAPT
SCHEMBL7527132 0.77 PTPN1 (0.66) ALDH1A1MAPK1CYP3A4CYP2C9CA1
SCHEMBL1122831 0.76 CA1 (0.61) CA1CA2KMT2AFKBP1AGLA
SCHEMBL3367354 0.76 CA1 (0.61) ALDH1A1MAPK1CYP3A4CYP2C9CA1
SCHEMBL3365049 0.76 CA1 (0.61) CYP3A4CYP2C9CA1CA2KMT2A
SCHEMBL28696244 0.76 CA2 (0.52) ALDH1A1CYP3A4CYP2C9CA1CA2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC 2023-05-11 — — US disclosed
US-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC 2023-05-11 — — US disclosed
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 — — US disclosed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 — — US disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 — — US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 — — EP disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 — — EP disclosed
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 — — EP disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 — — EP disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 — — EP disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 — — EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 — — WO disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 — — US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 — — WO disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 — — US disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 — — US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 — — WO disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — 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 (5 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-20230146127-A1 3-DIARYLMETHYLENES AND USES THEREOF MYC, MYCBP, FOXO1 ALDH1A1 3501/4885MAPK1 1223/4885CYP3A4 4166/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 ALDH1A1 1712/4885MAPK1 1860/4885CYP3A4 389/4885
US-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 ALDH1A1 864/4885MAPK1 981/4885CYP3A4 325/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E ALDH1A1 961/4885MAPK1 2462/4885CYP3A4 329/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 ALDH1A1 2260/4885MAPK1 853/4885CYP3A4 499/4885

“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.