SCHEMBL1542334

SCHEMBL1542334

Cc1cc(NS(C)(=O)=O)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
HIF1A Q16665 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP17A1 P05093 2/20 0.47
KAT2B Q92831 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KEAP1 Q14145 1/20 0.45
TSHR P16473 1/20 0.43

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
SCHEMBL1976452 0.85 CA1 (0.57) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL10890265 0.85 CA12 (0.48) ALDH1A1TDP1CA12CA1CA2
SCHEMBL1530134 0.84 CA12 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL7904243 0.83 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1THRBALOX15
Lithium SCHEMBL31041157 0.82 CYP17A1 (0.63) ALDH1A1CA12CA1CA2CA9
SCHEMBL11233535 0.82 PTGS1 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL2034092 0.81 LMNA (0.52) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL5551069 0.79 HPGD (0.54) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL10941982 0.79 CA12 (0.52) ALDH1A1CYP3A4ALOX15CA12CA1
SCHEMBL392853 0.78 CA12 (0.55) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4477271-B1 N-(PHENYL)-5-(HETEROARYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2026-05-13 EP disclosed
EP-4477271-A2 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2024-12-18 EP disclosed
EP-3749648-B1 N-(PHENYL)-5-(PHENYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2024-10-30 EP disclosed
US-20240277852-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-08-22 US disclosed
EP-4341254-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Dana-Farber Cancer Institute, Inc. (US) 2024-03-27 EP disclosed
CN-111836801-B Compounds for inhibiting TNIK and medical use thereof 韩国化学硏究院 2024-02-02 CN disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
WO-2010019910-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 US 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 (6 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 ALDH1A1 261/4885CYP3A4 3060/4885TDP1 3239/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 ALDH1A1 428/4885CYP3A4 2749/4885TDP1 3293/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885CYP3A4 4748/4885TDP1 1047/4885
US-20240277852-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN PIP4K2A, PIP4K2C, PIP4K2B ALDH1A1 4766/4885CYP3A4 3880/4885TDP1 1592/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALDH1A1 4519/4885CYP3A4 4748/4885TDP1 1047/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ALDH1A1 1136/4885CYP3A4 528/4885TDP1 2620/4885

“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.