SCHEMBL343776

SCHEMBL343776

Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.73
CYP19A1 P11511 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALOX15 P16050 1/20 0.62
PRMT1 Q99873 1/20 0.60
ALDH1A1 P00352 2/20 0.59
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
PKM P14618 1/20 0.59
CYP2C19 P33261 1/20 0.59
PGR P06401 1/20 0.59
GPR27 Q9NS67 1/20 0.56
KEAP1 Q14145 1/20 0.56

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
SCHEMBL28271812 0.85 HTR6 (1.00) HTR6CYP19A1CA1CA2KMT2A
SCHEMBL3841821 0.85 PRMT1 (0.66) HTR6CYP19A1CA1CA2KMT2A
SCHEMBL3791521 0.85 PGR (0.81) HTR6CYP19A1KMT2AMEN1ALOX15
SCHEMBL28121847 0.84 PGR (0.73) PRMT1PKMPGRKEAP1
SCHEMBL14937571 0.84 PGR (0.72) CYP19A1CA1CA2KMT2AMEN1
SCHEMBL28271815 0.84 HTR6 (0.79) HTR6CYP19A1CA1CA2KMT2A
SCHEMBL30737524 0.84 HTR6 (0.79) HTR6CYP19A1CA1CA2KMT2A
SCHEMBL30737484 0.83 PGR (0.71) HTR6CYP19A1KMT2AMEN1ALDH1A1
SCHEMBL29561272 0.83 PGR (0.67) CYP19A1KMT2AMEN1ALOX15ALDH1A1
SCHEMBL16431575 0.83 PGR (0.71) HTR6CYP19A1KMT2AMEN1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236044-B2 Selective inhibitors of 12(S)-lipoxygenase (12-LOX) and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-02-01 US disclosed
US-20210147348-A1 SELECTIVE INHIBITORS OF 12(S)- LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-05-20 US disclosed
CN-112566898-A Selective inhibitors of 12(S) -lipoxygenase (12-LOX) and methods of use thereof 密歇根大学董事会 2021-03-26 CN disclosed
EP-3781548-A1 SELECTIVE INHIBITORS OF 12(S)-LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME The Regents Of The University Of Michigan (US) 2021-02-24 EP disclosed
WO-2019204375-A1 SELECTIVE INHIBITORS OF 12(S)-LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-24 WO disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 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 (4 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 HTR6 2181/4885CYP19A1 1570/4885CA1 4398/4885
US-11236044-B2 Selective inhibitors of 12(S)-lipoxygenase (12-LOX) and methods for use of the same ALOX12, LOX, ALOX15 HTR6 1167/4885CYP19A1 337/4885CA1 4625/4885
US-20210147348-A1 SELECTIVE INHIBITORS OF 12(S)- LIPOXYGENASE (12-LOX) AND METHODS FOR USE OF THE SAME ALOX12, LOX, ALOX15 HTR6 1167/4885CYP19A1 337/4885CA1 4625/4885
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK HTR6 1629/4885CYP19A1 1006/4885CA1 2976/4885

“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.