SCHEMBL512116

SCHEMBL512116

O=C1CCCC1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B2 P19099 1/20 0.40
ABCC9 O60706 3/20 0.38
ABCC8 Q09428 3/20 0.38
KCNJ11 Q14654 3/20 0.38
KCNJ8 Q15842 3/20 0.38
GRIA4 P48058 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL27173391 0.95 TLR4 (0.39) CYP17A1CYP3A4CYP11B2ABCC9ABCC8
SCHEMBL17202422 0.82 TRPV4 (0.41) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL512127 0.81 TLR4 (0.34) CYP17A1CYP3A4CYP11B2ABCC9ABCC8
SCHEMBL30894019 0.80 SLC6A2 (0.41) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL19993904 0.80 PGR (0.40) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL1138835 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SIRT2
SCHEMBL1138212 0.80 SLC6A2 (0.41) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL19993842 0.80 SLC6A2 (0.40) ABCC9ABCC8KCNJ11KCNJ8SLC6A2
SCHEMBL361341 0.79 LMNA (0.43) CYP17A1CYP3A4CYP11B2SLC6A2SLC6A4
SCHEMBL21451930 0.78 KDM1A (0.48) CYP11B2HTR2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
CN-103328451-B Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2015-06-10 CN disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
US-8486952-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-16 US disclosed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 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 (6 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP17A1 1562/4885CYP3A4 2737/4885CYP11B2 200/4885

“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.