SCHEMBL3888050

SCHEMBL3888050

C=CCNC(=S)Nc1cccc(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
ALDH1A1 P00352 4/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
KDM4E B2RXH2 2/20 0.58
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
POLB P06746 3/20 0.55
NPC1 O15118 5/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MIF P14174 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
ALPL P05186 1/20 0.52
ALPG P10696 1/20 0.52

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
SCHEMBL5462181 0.89 GAA (0.68) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL29387608 0.86 MAPT (0.61) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL28567853 0.84 KDM4E (0.75) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL11517562 0.82 CA1 (0.71) RAB9AALDH1A1GAAKDM4ECA1
SCHEMBL1647857 0.82 ALDH1A1 (0.69) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL5450539 0.80 MAPT (0.71) ALDH1A1MAPTMAPK1LMNAGAA
SCHEMBL11435337 0.80 MAPT (0.53) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL877659 0.79 AKR1C3 (0.59) RAB9AALDH1A1MAPTKDM4EPOLB
SCHEMBL11870217 0.78 ALDH1A1 (0.61) RAB9AALDH1A1MAPTMAPK1LMNA
SCHEMBL11863690 0.78 ALDH1A1 (0.61) RAB9AALDH1A1MAPTMAPK1LMNA

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-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 RAB9A 2286/4885ALDH1A1 1448/4885MAPT 1770/4885

“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.