SCHEMBL12330287

SCHEMBL12330287

OBc1ccc(-c2cccc(F)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.48
▸ CYP11B2 P19099 2/20 0.43
▸ PTPN1 P18031 1/20 0.41
▸ HSD17B1 P14061 3/20 0.41
▸ HSD17B2 P37059 3/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ DCLRE1B Q9H816 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ NR4A1 P22736 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PARP10 Q53GL7 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
SCHEMBL12269563 0.84 ESR2 (0.52) ESR2TAAR1CYP11B2PTPN1HSD17B1
SCHEMBL12261261 0.82 RPS6KA3 (0.41) HSD17B1HSD17B2PDK2MAP4K4
SCHEMBL10269073 0.79 LMNA (0.46) FFAR1
SCHEMBL13107429 0.78 CES2 (0.43) CA9
SCHEMBL19665085 0.76 TAAR1 (0.59) ESR2TAAR1CYP11B2PTPN1HSD17B1
SCHEMBL30068301 0.76 TAAR1 (0.59) ESR2TAAR1CYP11B2PTPN1HSD17B1
SCHEMBL31147883 0.76 TAAR1 (0.59) ESR2TAAR1CYP11B2PTPN1HSD17B1
SCHEMBL10359029 0.75 HSD17B1 (0.69) ESR2TAAR1CYP11B2HSD17B1HSD17B2
SCHEMBL198702 0.74 TAAR1 (0.68) ESR2TAAR1CYP11B2PTPN1HSD17B1
SCHEMBL12384873 0.72 TAAR1 (0.55) ESR2TAAR1CYP11B2PTPN1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 — — US disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
EP-2073816-B1 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2011-09-14 — — EP 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-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ESR2 4177/4885TAAR1 616/4885CYP11B2 835/4885

“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.

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