SCHEMBL4169544

SCHEMBL4169544

Cc1cc(OCc2ccccc2)ccc1Cc1c(C(F)(F)F)[nH][nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PRKD3 O94806 1/20 0.42
CDK7 P50613 1/20 0.42
JAK3 P52333 1/20 0.42
TNK2 Q07912 1/20 0.42
DPYD Q12882 1/20 0.42
AR P10275 1/20 0.41
MAOB P27338 5/20 0.41
MAOA P21397 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 2/20 0.39

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
SCHEMBL2290928 0.81 S1PR1 (0.44) S1PR1S1PR5DPYDMAOBMAOA
SCHEMBL5646161 0.79 SLC5A1 (0.46) MAOBMAOAPKM
SCHEMBL2254121 0.74 CYP1A2 (0.45) AR
SCHEMBL4173956 0.73 S1PR1 (0.37) S1PR1S1PR5DPYDMAOBMAOA
SCHEMBL12158512 0.73 S1PR1 (0.59) S1PR1S1PR5MAOBMAOAL3MBTL1
SCHEMBL4180435 0.72 S1PR1 (0.36) S1PR1S1PR5DPYDL3MBTL1PKM
SCHEMBL5645314 0.71 GAA (0.43) L3MBTL1PKMNPC1RAB9ATDP1
SCHEMBL5644883 0.71 ALOX12 (0.47)
SCHEMBL5646148 0.70 HTR1A (0.43) MAOBMAOAPKM
SCHEMBL15275222 0.70 MAOB (0.56) S1PR1S1PR5MAOBMAOAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP 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 (2 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885PRKD3 1297/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885PRKD3 1297/4885

“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.