SCHEMBL961561

SCHEMBL961561

O=C(O)C(CCCCCl)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
PDE2A O00408 11/20 0.46
EPHX2 P34913 1/20 0.43
TRPM8 Q7Z2W7 3/20 0.42
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL6122922 0.88 AKR1C3 (0.39) SLC7A5PDE2AEPHX2AKR1C3AKR1C2
SCHEMBL30492897 0.81 AKR1C3 (0.43) AKR1C3AKR1C2
SCHEMBL961088 0.81 AKR1C3 (0.43) AKR1C3AKR1C2
SCHEMBL964052 0.80 POLB (0.46) SLC7A5EPHX2AKR1C2
SCHEMBL2275258 0.78 AKR1C3 (0.43) AKR1C3AKR1C2
SCHEMBL961876 0.78 POLB (0.46) SLC7A5EPHX2AKR1C2
SCHEMBL961452 0.75 CES2 (0.39) AKR1C3AKR1C2
SCHEMBL16563578 0.74 PDE2A (0.61) SLC7A5PDE2AEPHX2TRPM8
SCHEMBL962540 0.73 POLB (0.41) PPARA
SCHEMBL6123096 0.73 RXRA (0.42) SLC7A5PDE2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 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
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US 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
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US 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
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 SLC7A5 2125/4885PDE2A 1826/4885EPHX2 2488/4885

“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.