SCHEMBL12924082

SCHEMBL12924082

COc1ccc(-c2ncco2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ CCR1 P32246 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ CCR8 P51685 1/20 0.40
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
Formic Acid Methyl Ester SCHEMBL31165941 0.91 LTA4H (0.37) LTA4HCCR1CCR5CCR8MAPK8
SCHEMBL12896119 0.82 LTA4H (0.40) LTA4HHPGDSCBFB
SCHEMBL30335253 0.77 CA12 (0.50) CCR1CCR5CCR8RXFP1NPC1
SCHEMBL3147993 0.77 CA12 (0.50) CCR1CCR5CCR8RXFP1NPC1
SCHEMBL13114689 0.77 CCR1 (0.56) LTA4HCCR1CCR5CCR8HPGDS
SCHEMBL4314798 0.77 LTA4H (0.64) LTA4HNPC1RAB9AHSP90AA1PKM
SCHEMBL16741135 0.76 LTA4H (0.38) LTA4HMAPK8MAPK9MAPK10HPGDS
SCHEMBL12935880 0.75 PPARG (0.35) LTA4HHPGDSRAB9AL3MBTL1
SCHEMBL24921604 0.75 NOTUM (0.50) PTGER4NPC1RAB9AL3MBTL1KMT2A
SCHEMBL16742979 0.73 LTA4H (0.35) LTA4HHPGDS

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-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 LTA4H 22/4885CCR1 1352/4885CCR5 1320/4885

“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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