SCHEMBL951459

SCHEMBL951459

O=C(c1ccc(B(O)O)cc1)N1CCC(F)(F)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
GPR183 P32249 3/20 0.46
HPGD P15428 2/20 0.43
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 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
SCHEMBL31037268 0.91 GPR183 (0.47) NAMPTGPR183HPGDALDH1A1GABRD
SCHEMBL15758020 0.87 GPR183 (0.44) NAMPTGPR183HPGDALDH1A1CCNC
SCHEMBL15473392 0.81 PKM (0.57) NAMPTHPGDDDB1CRBNALDH1A1
SCHEMBL24185210 0.81 HPGD (0.57) NAMPTGPR183HPGD
SCHEMBL28508665 0.81 GRM3 (0.47) GPR183HPGDCRBNALDH1A1CYP3A4
SCHEMBL951383 0.79 CNR1 (0.42) NAMPTHPGD
SCHEMBL29950978 0.78 HPGD (0.57) HPGDALDH1A1
SCHEMBL15470628 0.78 MEN1 (0.59) NAMPTHPGDALDH1A1
SCHEMBL26971896 0.75 NAMPT (0.50) NAMPTHPGDDDB1CRBNCCNC
SCHEMBL204078 0.75 HPGD (0.70) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304539-B2 Fused heteroaryl modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
WO-2009100171-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 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-20110002952-A1 FUSED HETEROARYL MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF NFKB2, NFKBIA, AP1G1 NAMPT 4624/4885GPR183 569/4885HPGD 2535/4885

“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.