SCHEMBL12896192

SCHEMBL12896192

CC(C)Oc1cc(F)cc(-c2nnco2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.49
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ PIM1 P11309 2/20 0.42
▸ PIM3 Q86V86 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.38
▸ BACE1 P56817 2/20 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
SCHEMBL12924604 0.83 NOTUM (0.60) NOTUMMAPTTSHRRAB9ANPC1
SCHEMBL12896194 0.78 NOTUM (0.47) NOTUMMAPTTSHRPIM1PIM3
SCHEMBL12896204 0.78 NOTUM (0.70) NOTUMMAPTTSHRPIM1PIM3
SCHEMBL12896191 0.77 PIM1 (0.52) NOTUMPIM1PIM3PIM2RAB9A
SCHEMBL12896182 0.76 NOTUM (0.62) NOTUMMAPTTSHRRAB9ANPC1
SCHEMBL12896193 0.72 NOTUM (0.50) NOTUMTSHRPIM1PIM3PIM2
SCHEMBL13466849 0.71 NOTUM (0.57) NOTUMMAPTTSHRRAB9ANPC1
SCHEMBL11916157 0.71 KAT6A (0.39) PIM1PIM3PIM2ALDH1A1
SCHEMBL23451501 0.66 NOTUM (1.00) NOTUMALDH1A1HPGDMAPK1
SCHEMBL30460468 0.66 NOTUM (0.59) NOTUMMAPTTSHRRAB9ANPC1

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 7 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 — — WO 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 (3 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885MAPT 3803/4885TSHR 1401/4885
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885MAPT 3803/4885TSHR 1401/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885MAPT 3803/4885TSHR 1401/4885

“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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