SCHEMBL4636718

SCHEMBL4636718

Cc1cccc(CNS(N)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.61
CA1 P00915 3/20 0.61
CA12 O43570 2/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CYP19A1 P11511 3/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA9 Q16790 1/20 0.49
MMP13 P45452 1/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TP53 P04637 1/20 0.47
IDO1 P14902 1/20 0.46
FBP1 P09467 1/20 0.46

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
Hydrochloric Acid SCHEMBL27717971 0.98 CA2 (0.59) CA2CA1CA12CA7CA14
SCHEMBL8265344 0.84 CYP19A1 (0.56) CA12CYP19A1ALDH1A1KDM4EHPGD
SCHEMBL12040509 0.82 CYP19A1 (0.54) CA12CYP19A1ALDH1A1KDM4EHPGD
SCHEMBL12039041 0.82 CYP19A1 (0.54) CYP19A1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15899840 0.82 CA2 (0.61) CA2CA1CA12CA7CA14
SCHEMBL2591119 0.81 CYP19A1 (0.57) CA12CYP19A1ALDH1A1CA9POLB
SCHEMBL4727966 0.79 HPGDS (0.49) CA2CA1CA12CA7CA14
SCHEMBL14380627 0.78 CYP19A1 (0.57) CA2CA1CA12CA7CA14
SCHEMBL139618 0.78 CYP19A1 (0.50) CA2CYP19A1ALDH1A1MMP13POLB
SCHEMBL4661682 0.78 CYP19A1 (0.71) CA12CYP19A1ALDH1A1CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
US-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2023-05-25 US disclosed
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN disclosed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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 (1 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-20230159469-A1 NOVEL PHTHALAZINE DERIVATIVE HAVING ECTONUCLOEOTIDE PYROPHOSPHATASE/PHOSPHODIESTE RASE INHIBITORY ACTIVITY, AND USE THEREOF ENPP1, ENPP3, PPA1 CA2 1041/4885CA1 2081/4885CA12 3292/4885

“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.