SCHEMBL4181067

SCHEMBL4181067

CC(C)c1[nH][nH]c(=O)c1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.43
MAOB P27338 3/20 0.43
GSTP1 P09211 1/20 0.43
BCHE P06276 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4169393 0.89 PPARG (0.43) POLBPKMSMN1; SMN2LTA4HMAOB
SCHEMBL4170750 0.88 L3MBTL1 (0.45) SMN1; SMN2LTA4HL3MBTL1
SCHEMBL4170488 0.88 L3MBTL1 (0.43) POLBPKMSMN1; SMN2LTA4HL3MBTL1
SCHEMBL2292345 0.86 DAO (0.45) SMN1; SMN2LMNA
SCHEMBL3174963 0.85 LTA4H (0.45) POLBLTA4HLMNAL3MBTL1
SCHEMBL2290928 0.83 S1PR1 (0.44) PKMMAOBL3MBTL1
SCHEMBL3167108 0.83 PRKCA (0.37) HPGDSMN1; SMN2LTA4HMAOBLMNA
SCHEMBL3897557 0.83 SMN1; SMN2 (0.48) HPGDMMP2MMP13POLBPKM
SCHEMBL4176572 0.82 ALDH1A1 (0.41) LTA4HLMNAL3MBTL1
SCHEMBL9109283 0.82 LTA4H (0.39) SMN1; SMN2LTA4H

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 HPGD 1037/4885MMP2 3480/4885MMP13 3382/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 HPGD 1037/4885MMP2 3480/4885MMP13 3382/4885

“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.