SCHEMBL964774

SCHEMBL964774

O=C(O)Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRG P48443 7/20 0.50
RXRB P28702 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
PLA2G4B P0C869 1/20 0.47
SRD5A2 P31213 1/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
AKR1B1 P15121 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CNR2 P34972 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
NPC1 O15118 1/20 0.44

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
Bicarbonate SCHEMBL27771212 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9A
SCHEMBL31481246 0.84 CA2 (0.48) CA2TBXAS1
SCHEMBL3939416 0.81 PLA2G4B (0.49) RXRARXRGRXRBSMN1; SMN2PPARD
SCHEMBL14987264 0.80 PPARD (0.50) RXRASMN1; SMN2PPARDPLA2G4BNR1H2
SCHEMBL15440596 0.80 ALOX5 (0.49) SMN1; SMN2PPARDPPARGPPARACACNA1G
SCHEMBL3498978 0.80 MAOB (0.67) RXRARXRGRXRBPPARDPPARG
SCHEMBL11209134 0.79 CA2 (0.52) RXRARXRGRXRBPPARDCA2
SCHEMBL9829744 0.79 STS (0.55) SMN1; SMN2PPARGPPARASRD5A2NPC1
SCHEMBL11683055 0.79 PLA2G4B (0.61) SMN1; SMN2CA2CAMK2APLA2G4BSRD5A2
SCHEMBL23052638 0.78 PPARA (0.47) SMN1; SMN2PPARDPPARGPPARACACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 US disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (3 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 RXRA 3039/4885RXRG 3299/4885RXRB 2981/4885
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H RXRA 4631/4885RXRG 4674/4885RXRB 3539/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 RXRA 4499/4885RXRG 4376/4885RXRB 3997/4885

“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.