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SCHEMBL13053330

SCHEMBL13053330

CCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ UCHL1 P09936 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37

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
SCHEMBL1234104 0.84 NPSR1 (0.45) HDAC1ALDH1A1MAPTHPGDKDM4E
SCHEMBL17599482 0.80 USP30 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL15882577 0.79 ERN1 (0.45) HDAC3HDAC4HDAC1HDAC6UCHL1
SCHEMBL15897083 0.79 SMN1; SMN2 (0.43) UCHL1ALDH1A1MAPTHPGDKDM4E
SCHEMBL12785064 0.79 LMNA (0.41) HDAC6ALDH1A1MAPTHPGDKDM4E
SCHEMBL823673 0.79 DAO (0.44) HPGDGLAKMT2AL3MBTL1
SCHEMBL1475922 0.77 F2 (0.43) —
SCHEMBL20388812 0.77 USP30 (0.46) UCHL1ALDH1A1MAPTHPGDKDM4E
SCHEMBL23330402 0.76 MEN1 (0.36) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL28418791 0.76 GAA (0.43) UCHL1ALDH1A1MAPTHPGDKDM4E

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
CN-111356695-A Novel tricyclic compounds 北京加科思图新药研发有限公司 2020-06-30 — — CN disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 — — US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 — — WO disclosed
WO-2013173382-A1 BENZOTHIOPHENE SULFONAMIDES AND OTHER COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2013-11-21 — — WO disclosed
US-20100298609-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION TAMKANG UNIVERSITY (TW) 2010-11-25 — — US disclosed
US-20100298575-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION TAMKANG UNIVERSITY (TW) 2010-11-25 — — 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 (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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HDAC3 1981/4885HDAC4 2670/4885HDAC1 2445/4885
US-20100298609-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION BTD, BRD8, BROX HDAC3 884/4885HDAC4 946/4885HDAC1 1346/4885
US-20100298575-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION BTD, BRD8, BROX HDAC3 884/4885HDAC4 946/4885HDAC1 1346/4885

“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.