SCHEMBL5022649

SCHEMBL5022649

O=C(NCc1cccc(S(=O)(=O)NCC2CCCO2)c1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.60
ALDH1A1 P00352 5/20 0.55
LMNA P02545 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK2 O75116 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
CASP6 P55212 1/20 0.46
BRD4 O60885 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
SCHEMBL4636078 0.87 HPGDS (0.62) HPGDSALDH1A1LMNAKMT2AMEN1
SCHEMBL4669182 0.82 HPGDS (0.69) HPGDSALDH1A1LMNAHTTROCK2
SCHEMBL4636491 0.82 HPGDS (0.74) HPGDSALDH1A1LMNAHTTROCK2
SCHEMBL4636174 0.81 HPGDS (0.66) HPGDSALDH1A1LMNAKMT2AHPGD
SCHEMBL5015328 0.81 HPGDS (0.59) HPGDSALDH1A1LMNAKMT2AMEN1
SCHEMBL4636927 0.80 HPGDS (0.76) HPGDSALDH1A1LMNAGAAHTT
SCHEMBL4636739 0.80 HPGDS (0.70) HPGDSALDH1A1LMNAHTTROCK2
SCHEMBL4636055 0.80 HPGDS (0.70) HPGDSALDH1A1LMNAHTTROCK2
SCHEMBL4668014 0.79 HPGDS (0.60) HPGDSALDH1A1LMNASMN1; SMN2ROCK2
SCHEMBL4636381 0.79 HPGDS (0.69) HPGDSLMNAHTTROCK2POLB

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 4 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 claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
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

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 871/4885LMNA 3675/4885

“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.