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SCHEMBL3781271

SCHEMBL3781271

CCOC(=O)Cc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.43
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP4Z1 Q86W10 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 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
SCHEMBL27144967 0.90 UCHL1 (0.43) UCHL1MAPTSMN1; SMN2NPC1PKM
SCHEMBL136786 0.87 GAA (0.43) UCHL1MAPTSMN1; SMN2NPC1PKM
SCHEMBL12900617 0.87 UCHL1 (0.44) UCHL1MAPTSMN1; SMN2NPC1PKM
SCHEMBL137326 0.84 UCHL1 (0.47) UCHL1SMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL18524193 0.84 UCHL1 (0.42) UCHL1MAPTSMN1; SMN2NPC1PKM
SCHEMBL3476855 0.83 GAA (0.39) MAPTNFKB1ALDH1A1LMNAMEN1
SCHEMBL15056276 0.81 UCHL1 (0.40) UCHL1MAPTSMN1; SMN2NPC1PKM
SCHEMBL30087169 0.80 EGFR (0.39) UCHL1SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL27176797 0.80 EGFR (0.39) UCHL1SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL3198437 0.80 UCHL1 (0.47) UCHL1MAPTSMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 — — EP disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 — — WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 — — 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 (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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 UCHL1 4401/4885MAPT 4253/4885SMN1; SMN2 3849/4885

“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.