SCHEMBL4545273

SCHEMBL4545273

COc1ccc(F)c(-c2cccc(CO)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.56
CASR P41180 1/20 0.47
PPARD Q03181 2/20 0.47
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP2A7 P20853 1/20 0.44
CYP3A7 P24462 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
SCHEMBL29062165 0.84 FFAR1 (0.59) FFAR1STIM1ORAI1TNIK
SCHEMBL3388471 0.82 CYP1A1 (0.44) FFAR1PPARDCYP1A1CYP1A2CYP2E1
SCHEMBL17504869 0.81 FFAR1 (0.50) FFAR1STIM1ORAI1CYP1A1CYP1A2
SCHEMBL16675748 0.81 FFAR1 (0.53) FFAR1CASRPPARDCYP1A1CYP1A2
SCHEMBL16290603 0.80 CYP1A1 (0.50) FFAR1STIM1ORAI1CYP1A1CYP1A2
SCHEMBL4937029 0.79 FYN (0.56) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL21262738 0.78 ACHE (0.53) FFAR1STIM1ORAI1CYP1A1CYP1A2
SCHEMBL16290533 0.78 CYP1A1 (0.49) FFAR1STIM1ORAI1CYP1A1CYP1A2
SCHEMBL1521163 0.78 ABL1 (0.58) FFAR1CASRPPARDFYNMTNR1A
SCHEMBL13232063 0.78 ABL1 (0.50) CASRCYP1A1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 FFAR1 2512/4885CASR 1672/4885PPARD 2133/4885

“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.