SCHEMBL16632675

SCHEMBL16632675

COc1cc(F)ccc1Oc1cc(F)cc2cc(C#N)ccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.53
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
SLC6A4 P31645 1/20 0.43
NR3C1 P04150 5/20 0.39
PGR P06401 5/20 0.39
NR3C2 P08235 5/20 0.39
HPGDS O60760 1/20 0.38
TRPA1 O75762 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
SCHEMBL16632414 0.92 AR (0.53) ARSCN8ASCN10ASLC6A4HPGDS
SCHEMBL16632539 0.91 SLC6A4 (0.50) ARSCN8ASCN10ASLC6A4NR3C1
SCHEMBL16640622 0.91 AR (0.54) ARSCN8ASCN10ASLC6A4
SCHEMBL16632541 0.90 SLC6A4 (0.57) ARSCN8ASCN10ASLC6A4
SCHEMBL16632568 0.90 AR (0.54) ARSCN8ASCN10ASLC6A4NR3C1
SCHEMBL16632440 0.84 P4HB (0.37) ARSCN8ASCN10ANR3C1PGR
SCHEMBL4175734 0.81 AR (0.59) ARSCN8ASCN10ASLC6A4NR3C1
SCHEMBL16632458 0.80 SLC6A4 (0.60) ARSLC6A4
SCHEMBL16632380 0.78 AR (0.40) AR
SCHEMBL16632419 0.77 AR (0.52) ARSLC6A4HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR AR 3070/4885SCN8A 4760/4885SCN10A 4842/4885

“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.