SCHEMBL18216620

SCHEMBL18216620

COCc1cc(C(=O)OC)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
XDH P47989 1/20 0.47
DPP4 P27487 2/20 0.46
MPO P05164 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13141084 0.87 DPP4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL4115648 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1861575 0.85 CA1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL12808621 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31371189 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19387958 0.84 RORC (0.47) CA12CA1CA2CA7CA9
SCHEMBL30469443 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12487744 0.83 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL17083284 0.83 LOXL2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1756375 0.83 CA12 (0.47) CA12CA1CA2CA7CA9

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-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA CA12 497/4885CA1 223/4885CA2 527/4885

“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.