Sugi Predict

Sugi Predict / Compounds / SCHEMBL979633

SCHEMBL979633

SCHEMBL979633

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ KMT2A Q03164 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ XDH P47989 1/20 0.58
▸ PPARA Q07869 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ NR1H4 Q96RI1 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ PIN1 Q13526 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ PPARD Q03181 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KMO O15229 1/20 0.48

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
SCHEMBL289978 0.90 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4740518 0.90 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7504550 0.86 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL19523288 0.86 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL7504541 0.86 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL8867441 0.86 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1198591 0.84 MAPT (0.81) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL981341 0.83 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL3436646 0.82 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5016724 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 — — EP disclosed
US-9802907-B2 2-aryl selenazole compound and pharmaceutical composition thereof JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2017-10-31 — — US disclosed
CN-102056907-B Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2014-12-31 — — CN disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 — — CN disclosed
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 — — US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 — — US disclosed
CN-101910121-A Bis (sulfonylamino) derivatives 066 in therapy ASTRAZENECA AB 2010-12-08 — — CN disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 — — EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 — — US disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 — — WO disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 — — EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 — — US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 — — EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 — — WO disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 — — EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 — — WO disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 — — WO disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 — — US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 — — EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 — — 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-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 ALDH1A1 85/4885SMN1; SMN2 1922/4885KMT2A 3367/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 ALDH1A1 85/4885SMN1; SMN2 1922/4885KMT2A 3367/4885

“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.