SCHEMBL3086764

SCHEMBL3086764

Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
HTT P42858 1/20 0.71
CA9 Q16790 1/20 0.71
KMT2A Q03164 3/20 0.68
KEAP1 Q14145 1/20 0.68
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 2/20 0.63
CYP3A4 P08684 2/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
PRMT1 Q99873 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C19 P33261 1/20 0.63
CYP2C9 P11712 1/20 0.63
POLB P06746 2/20 0.61
FFAR4 Q5NUL3 2/20 0.59
PKM P14618 1/20 0.59
FFAR1 O14842 1/20 0.59

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
SCHEMBL4573594 1.00 CA1 (0.74) CA1CA2HTTCA9KMT2A
SCHEMBL11793140 0.90 CA1 (0.85) CA1CA2HTTCA9KMT2A
SCHEMBL540915 0.90 CA1 (0.85) CA1CA2HTTCA9KMT2A
SCHEMBL7501950 0.90 CA1 (0.81) CA1CA2KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5797806 0.88 CA1 (0.79) CA1CA2KMT2AALDH1A1MAPK1
SCHEMBL28352311 0.88 CA1 (0.59) CA1CA2HTTCA9KMT2A
SCHEMBL19603195 0.85 CA1 (0.76) CA1CA2HTTCA9KMT2A
SCHEMBL28352310 0.84 CA1 (0.55) CA1CA2HTTCA9KMT2A
SCHEMBL7834458 0.84 HTR6 (0.65) CA1CA2HTTCA9KMT2A
SCHEMBL153131 0.83 CA1 (1.00) CA1CA2HTTCA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
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-117510460-A Benzo [ b ] thiophene derivative containing sulfonamide unit, and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
CN-111836801-B Compounds for inhibiting TNIK and medical use thereof 韩国化学硏究院 2024-02-02 CN disclosed
CN-117186049-A 2, 2-dimethyl-2H chromene derivative containing sulfonamide unit, and preparation method and application thereof 贵州大学 2023-12-08 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-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
EP-3749648-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2020-12-16 EP disclosed
CN-111836801-A Compound for inhibiting TNIK and medical application thereof 韩国化学硏究院 2020-10-27 CN disclosed
WO-2019156439-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO disclosed
WO-2019156439-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-08-15 WO disclosed
CN-106431998-A N-[4-(isopimaric acid acylamino)phenyl]arylsulfonamide compounds and preparation method and anticancer activity application thereof 中国林业科学研究院林产化学工业研究所 2017-02-22 CN disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (3 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CA1 3622/4885CA2 2641/4885HTT 4181/4885
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK CA1 2550/4885CA2 281/4885HTT 3489/4885
US-20210047277-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK CA1 2550/4885CA2 281/4885HTT 3489/4885

“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.