SCHEMBL4637600

SCHEMBL4637600

NCc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
PKM P14618 4/20 0.47
RAB9A P51151 1/20 0.43
GLA P06280 1/20 0.42
TDO2 P48775 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL2989085 0.78 GFER (0.64) GFERPKMRAB9AGLATDO2
SCHEMBL14045723 0.76 MEN1 (0.65) MEN1KMT2ASMN1; SMN2AKR1C3
SCHEMBL14045768 0.76 AKR1C3 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HTR6
Hydrochloric Acid SCHEMBL5476884 0.76 ALDH1A1 (0.59) MEN1KMT2ALOXLOXL2ALDH1A1
SCHEMBL4636716 0.75 L3MBTL1 (0.63) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL27717983 0.74 BACE1 (0.41) PKMMEN1KMT2ALOXLOXL2
SCHEMBL3217362 0.74 PKM (0.69) GFERPKMMEN1KMT2ASMN1; SMN2
SCHEMBL5144131 0.73 ALDH1A1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3928664 0.73 GFER (0.69) GFERPKMGLAMEN1KMT2A
SCHEMBL29764438 0.73 GFER (0.65) GFERPKMRAB9AGLATDO2

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
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP 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
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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S GFER 3552/4885PKM 1226/4885RAB9A 2462/4885

“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.