SCHEMBL3227243

SCHEMBL3227243

Cc1cc(NS(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH3A1 P30838 1/20 0.43
CYP17A1 P05093 1/20 0.43
KAT2B Q92831 1/20 0.42
POLB P06746 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
SCHEMBL1530124 0.86 CYP3A4 (0.48) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL12557002 0.85 CA1 (0.56) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL28760524 0.85 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL1530954 0.82 CA1 (0.53) GAASMN1; SMN2MAPTTSHRCA12
SCHEMBL11075220 0.80 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL9136568 0.79 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL18687305 0.79 PARP1 (0.44) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL5499416 0.79 CA12 (0.54) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL461513 0.79 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL5625355 0.79 FFAR4 (0.65) ALDH1A1GAASMN1; SMN2MAPTMEN1

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-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
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
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-11-01 US disclosed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 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
CN-1946680-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2007-04-11 CN 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 261/4885GAA 1780/4885SMN1; SMN2 527/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 ALDH1A1 428/4885GAA 2083/4885SMN1; SMN2 1944/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885GAA 760/4885SMN1; SMN2 3402/4885
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885GAA 760/4885SMN1; SMN2 3402/4885
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B ALDH1A1 793/4885GAA 1728/4885SMN1; SMN2 3499/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALDH1A1 4519/4885GAA 760/4885SMN1; SMN2 3402/4885

“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.