SCHEMBL18728166

SCHEMBL18728166

O=S(=O)(OCC1COc2ccc(Br)cc2O1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.51
CA2 P00918 4/20 0.49
PYGL P06737 1/20 0.41
HTR6 P50406 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4247796 0.81 CA2 (0.55) FFAR1CA2
SCHEMBL4247794 0.81 CA2 (0.55) FFAR1CA2
SCHEMBL6979181 0.79 CA2 (0.47) FFAR1CA2PYGLHTR6MAPK1
SCHEMBL1883283 0.79 CA2 (0.47) FFAR1CA2PYGLHTR6MAPK1
SCHEMBL15870267 0.78 FFAR1 (0.41) FFAR1CA2PYGLHTR6MAPK1
SCHEMBL17272748 0.78 FFAR1 (0.41) FFAR1CA2PYGLHTR6MAPK1
SCHEMBL17272320 0.77 CA2 (0.33) FFAR1CA2HTR6L3MBTL1MAPK1
SCHEMBL15865430 0.76 CA2 (0.47) FFAR1CA2HTR6L3MBTL1MAPK1
SCHEMBL17272718 0.76 CA2 (0.47) FFAR1CA2HTR6L3MBTL1MAPK1
SCHEMBL13450820 0.76 FFAR1 (0.50) FFAR1CA2PYGLHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 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 (2 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 FFAR1 3749/4885CA2 4677/4885PYGL 1258/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 FFAR1 3749/4885CA2 4677/4885PYGL 1258/4885

“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.