SCHEMBL16744692

SCHEMBL16744692

CS(=O)(=O)OC[C@H]1CCc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
PPARD Q03181 10/20 0.37
PPARA Q07869 3/20 0.36
HTR6 P50406 1/20 0.35
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL6976751 0.89 HTR2C (0.38) SRD5A1ESR1ESR2
SCHEMBL6978852 0.80 CA2 (0.45) HTR6CA1CA2
SCHEMBL14143008 0.80 CA2 (0.45) HTR6CA1CA2
SCHEMBL7216117 0.77 MTNR1A (0.50) PPARDCA1CA2CA9CA14
SCHEMBL17321040 0.76 CA2 (0.52) CA2
SCHEMBL12086024 0.76 SRD5A1 (0.46) SRD5A1PPARDPPARAESR1ESR2
SCHEMBL7220825 0.75 HTR2C (0.44) SRD5A1ESR1ESR2SLC6A4
SCHEMBL9630429 0.74 MTNR1A (0.56)
SCHEMBL17361445 0.74 METAP1 (0.31) SRD5A1SLC6A4
SCHEMBL17361869 0.74 FFAR1 (0.41) PPARDPPARACA2

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-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 SRD5A1 849/4885PPARD 3597/4885PPARA 3519/4885

“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.