SCHEMBL12269563

SCHEMBL12269563

Cc1cc(-c2cccc(F)c2)ccc1BO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.52
▸ TAAR1 Q96RJ0 3/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.45
▸ ACHE P22303 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ DCLRE1B Q9H816 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL12330287 0.84 ESR2 (0.53) ESR2TAAR1TNKS2PTPN1HSD17B1
SCHEMBL18970438 0.79 TAAR1 (0.55) ESR2TAAR1TNKS2ACHEPTPN1
SCHEMBL18970412 0.77 TAAR1 (0.53) ESR2TAAR1TNKS2ACHEPTPN1
SCHEMBL257792 0.76 ESR2 (0.53) ESR2TAAR1TNKS2ACHEPTPN1
SCHEMBL257773 0.75 TNKS2 (0.56) ESR2TAAR1TNKS2ACHEPTPN1
SCHEMBL18970556 0.75 TAAR1 (0.50) ESR2TAAR1TNKS2ACHEPGR
SCHEMBL18970517 0.75 TAAR1 (0.50) ESR2TAAR1TNKS2ACHEPGR
SCHEMBL26936683 0.74 ESR2 (0.60) ESR2TAAR1TNKS2ACHEPTPN1
SCHEMBL13523183 0.74 CYP3A4 (0.65) ESR2TAAR1TNKS2ACHEPGR
SCHEMBL12260819 0.74 TAAR1 (0.50) ESR2TAAR1TNKS2ACHEPTPN1

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-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 — — 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-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ESR2 4177/4885TAAR1 616/4885TNKS2 2994/4885

“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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