SCHEMBL2960135

SCHEMBL2960135

COC(=O)n1nc(O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ENPP3 O14638 3/20 0.34
ALPL P05186 3/20 0.34
XIAP P98170 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2956208 0.83 TSHR (0.40) ALDH1A1TSHRMEN1CYP1A2CYP3A4
SCHEMBL2961171 0.80 FAAH (0.40) ALDH1A1SMN1; SMN2TSHRMEN1CYP1A2
SCHEMBL6049124 0.76 TSHR (0.39) ALDH1A1SMN1; SMN2TSHRMEN1CYP1A2
SCHEMBL1531410 0.69 MAPT (0.47) ALDH1A1SMN1; SMN2GAATSHRMEN1
SCHEMBL1531077 0.68 KMT2A (0.38) ALDH1A1SMN1; SMN2GAATSHRMEN1
SCHEMBL18467794 0.67
SCHEMBL25293276 0.65 ALDH1A1 (0.55) ALDH1A1GAATSHRCYP1A2CYP3A4
SCHEMBL22692279 0.65 KDM4E (0.39) ALDH1A1SMN1; SMN2GAAMAPK1KDM4E
SCHEMBL173200 0.63
SCHEMBL31695385 0.63 LPO (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 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 (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-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 ALDH1A1 57/4885SMN1; SMN2 4836/4885GAA 703/4885

“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.