SCHEMBL10192912

SCHEMBL10192912

COC(=O)c1cc2cc(B(O)O)c(OC)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.42
▸ SRD5A1 P18405 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ POLB P06746 5/20 0.42
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ PDGFRB P09619 1/20 0.40

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
SCHEMBL6514324 0.86 RXFP1 (0.53) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL2735980 0.84 XDH (0.50) XDHKMT2AMEN1GLAGAA
SCHEMBL30988744 0.82 XDH (0.48) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL16030973 0.82 XDH (0.48) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL29217462 0.82 XDH (0.48) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL2760138 0.81 XDH (0.45) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL18824232 0.81 POLB (0.48) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL2760136 0.81 XDH (0.51) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL8985887 0.81 POLB (0.47) XDHRXFP1SRD5A1SRD5A2KMT2A
SCHEMBL2735982 0.80 XDH (0.45) XDHKMT2AMEN1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 — — US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — US disclosed
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 — — EP disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 — — US disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 — — US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 — — US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 — — US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 — — US disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 — — US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 — — US disclosed
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides OAKTREE FUND ADMINISTRATION, LLC 2008-01-03 — — US disclosed
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 — — 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 XDH 3574/4885RXFP1 3809/4885SRD5A1 3938/4885
US-20080004241-A1 2-carboxamide substituted indoles; osteoporosis, hepatitis B, ophthalmic disease, diabetes, atherosclerosis, obesity, chronic neuropathic pain, stroke; protein tyrosine kinase (PTK) inhibitors; 5-fluoro-3-phenylindole-2-carboxamides PTK2B, GRK2, FRK XDH 3391/4885RXFP1 1776/4885SRD5A1 2466/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 XDH 3206/4885RXFP1 4099/4885SRD5A1 3884/4885

“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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