SCHEMBL17755899

SCHEMBL17755899

Cc1noc(CCC(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ FFAR1 O14842 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL314801 0.77 MEN1 (0.45) NPSR1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL17755722 0.75 MAPT (0.53) L3MBTL1GAALMNAALDH1A1HPGD
SCHEMBL9548339 0.75 FFAR4 (0.32) FFAR4NPSR1KDM4EHSD17B10
SCHEMBL18513549 0.73 NPSR1 (0.45) NPSR1KDM4EHSD17B10GAAFFAR1
SCHEMBL17755900 0.70 APAF1 (0.40) L3MBTL1TSHRLMNAALDH1A1
SCHEMBL12385469 0.70 — —
SCHEMBL28830916 0.69 NPSR1 (0.50) NPSR1KDM4ENPC1RAB9AHSD17B10
SCHEMBL17755880 0.69 MITF (0.38) FFAR4NPSR1NPC1RAB9AL3MBTL1
SCHEMBL5773143 0.68 FFAR4 (0.51) FFAR4KDM4ENPC1RAB9AGAA
SCHEMBL17164817 0.68 PTGS2 (0.37) L3MBTL1GAATSHRALDH1A1MEN1

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 FFAR4 3264/4885NPSR1 1379/4885KDM4E 3804/4885

“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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