SCHEMBL961625

SCHEMBL961625

CCOC(=O)Oc1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.44
NLRP3 Q96P20 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ELANE P08246 1/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CES2 O00748 1/20 0.39
BCHE P06276 1/20 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
SCHEMBL1787976 0.86 FAAH (0.47) TYMSSMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL8368388 0.86 TYMS (0.43) TYMSCYP1A2ALDH1A1KDM4ETSHR
SCHEMBL27215072 0.81 NLRP3 (0.46) TYMSNLRP3SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8516383 0.80 TSHR (0.52) TYMSALDH1A1KDM4EELANETSHR
SCHEMBL1261700 0.79 ACLY (0.42) NLRP3SMN1; SMN2ALDH1A1KDM4EELANE
SCHEMBL31567693 0.79 ACLY (0.42) NLRP3SMN1; SMN2ALDH1A1KDM4EELANE
SCHEMBL1069102 0.79 SMN1; SMN2 (0.40) NLRP3SMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL1069105 0.79 SMN1; SMN2 (0.40) NLRP3SMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL1069104 0.79 SMN1; SMN2 (0.40) NLRP3SMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL31200468 0.77 MAPK1 (0.49) CYP1A2ALDH1A1KDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356081-B Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2014-08-27 CN 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
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN 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 (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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 TYMS 2879/4885NLRP3 2874/4885SMN1; SMN2 871/4885

“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.