SCHEMBL964652

SCHEMBL964652

O=C(O)Cc1ccc(OC(F)C(F)F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ PPARG P37231 5/20 0.44
▸ PPARA Q07869 5/20 0.44
▸ SRD5A2 P31213 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL1036212 0.78 GAA (0.68) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL7349430 0.76 RAB9A (0.60) GAAPPARGPPARATSHRALDH1A1
SCHEMBL19468675 0.75 EPHX2 (0.53) GAASRD5A2TSHRNFKB1TDP1
SCHEMBL926240 0.74 KDM1A (0.47) GAASRD5A2TSHRNFKB1TDP1
SCHEMBL28896108 0.74 PPARG (0.34) PPARGPPARAALDH1A1KDM4E
SCHEMBL156006 0.73 GAA (0.68) GAASRD5A2TSHRNFKB1TDP1
SCHEMBL1568060 0.73 PDE4A (0.50) PPARGPPARAPDE4A
SCHEMBL964651 0.73 RXRA (0.48) GAASRD5A2RXRARXRBRXRG
SCHEMBL3954112 0.73 S1PR5 (0.60) SRD5A2ALDH1A1RXRARXRBRXRG
SCHEMBL29510818 0.73 S1PR5 (0.60) SRD5A2ALDH1A1RXRARXRBRXRG

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 6 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
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 GAA 127/4885PPARG 1062/4885PPARA 933/4885

“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.

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