SCHEMBL4185606

SCHEMBL4185606

CS(=O)(=O)N1CCC(OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.55
PRMT6 Q96LA8 2/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
PRMT8 Q9NR22 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
FABP6 P51161 1/20 0.52
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
RORC P51449 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
BCHE P06276 1/20 0.46
PRMT5 O14744 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 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
SCHEMBL17803548 0.86 CARM1 (0.52) CARM1PRMT6TMEM97SIGMAR1PRMT8
Hydrochloric Acid SCHEMBL28188628 0.84 CARM1 (0.50) CARM1PRMT6TMEM97SIGMAR1PRMT8
SCHEMBL5717246 0.79 ALDH1A1 (0.53) FABP6POLBRECQLSMN1; SMN2ALDH1A1
SCHEMBL5140977 0.79 CARM1 (0.66) CARM1PRMT6TMEM97SIGMAR1PRMT8
SCHEMBL5949191 0.78 CDK4 (0.41) CARM1PRMT6HRH3FABP6POLB
SCHEMBL717952 0.78 OPRM1 (0.49) CARM1PRMT6TMEM97SIGMAR1PRMT8
SCHEMBL606866 0.77 NPSR1 (0.62) POLBRECQLSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL25355327 0.77 CARM1 (0.46) CARM1PRMT6TMEM97SIGMAR1PRMT8
SCHEMBL7441322 0.77 CARM1 (0.52) CARM1PRMT6TMEM97SIGMAR1PRMT8
SCHEMBL23972324 0.76 CARM1 (0.67) CARM1PRMT6TMEM97SIGMAR1PRMT8

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-20090318500-A1 4-(2, 6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide for the Treatment of Cancer ASTEX THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
CN-101484439-A 4- (2, 6-dichloro-benzoylamino) -1H-pyrazole-3-carboxylic acid (1-methanesulfonyl-piperidin-4-yl) -amide for the treatment of cancer ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
EP-2027109-A1 4- (2, 6-DICHLORO-BENZOYLAMINO) -1H-PYRAZOLE-S-CARBOXYLIC ACID (1-METHANESULPH0NYL-PIPERIDIN-4-YL) -AMIDE FOR THE TREATMENT OF CANCER Astex Therapeutics Limited (GB) 2009-02-25 EP disclosed
WO-2007129066-A1 4- (2,6-DICHLORO-BENZOYLAMINO) -1H-PYRAZOLE-3-CARBOXYLIC ACID (1-METHANESULPHONYL-PIPERIDIN-4-YL) -AMIDE FOR THE TREATMENT OF CANCER ASTEX THERAPEUTICS LIMITED (GB) 2007-11-15 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-20090318500-A1 4-(2, 6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methanesulphonyl-piperidin-4-yl)-amide for the Treatment of Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA5A, PDK4 CARM1 4005/4885PRMT6 2691/4885TMEM97 862/4885

“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.