SCHEMBL10248301

SCHEMBL10248301

CS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.73
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CCR1 P32246 3/20 0.51
ROCK2 O75116 2/20 0.49
PRKACA P17612 1/20 0.49
GRK5 P34947 1/20 0.49
PRKX P51817 1/20 0.49
PRKCQ Q04759 1/20 0.49
ROCK1 Q13464 1/20 0.49
CHRM3 P20309 1/20 0.48
VNN1 O95497 1/20 0.48
MAPK1 P28482 4/20 0.48
RORC P51449 1/20 0.46
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL4636927 0.90 HPGDS (0.76) HPGDSALDH1A1GAAHSD17B10CCR1
SCHEMBL4636873 0.89 HPGDS (0.70) HPGDSROCK2PRKACAGRK5PRKX
SCHEMBL16495368 0.89 HPGDS (0.59) HPGDSALDH1A1GAAHSD17B10CCR1
SCHEMBL4636491 0.88 HPGDS (0.74) HPGDSALDH1A1CCR1ROCK2PRKACA
SCHEMBL4636627 0.88 HPGDS (0.74) HPGDSALDH1A1GAAHSD17B10CCR1
SCHEMBL4636188 0.87 HPGDS (0.65) HPGDSROCK2PRKACAGRK5PRKX
SCHEMBL4636739 0.85 HPGDS (0.70) HPGDSALDH1A1CCR1ROCK2PRKACA
SCHEMBL4636413 0.85 HPGDS (0.75) HPGDSALDH1A1CCR1ROCK2PRKACA
SCHEMBL4636381 0.85 HPGDS (0.69) HPGDSCCR1ROCK2PRKACAGRK5
SCHEMBL5015736 0.85 HPGDS (1.00) HPGDSALDH1A1CCR1PRKACAGRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S HPGDS 16/4885ALDH1A1 871/4885GAA 1391/4885

“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.