SCHEMBL2735965

SCHEMBL2735965

CC(C)NC(=O)c1cc2ccc(O)cc2cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
ALOX5 P09917 1/20 0.53
POLA1 P09884 1/20 0.52
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
NCOA1 Q15788 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL11310218 0.85 MEN1 (0.62) ALOX5MEN1KMT2AMAPTMITF
SCHEMBL2760145 0.82 SRC (0.61) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL19074375 0.82 ALOX5 (0.70) ALOX5MEN1KMT2ACA12CA1
SCHEMBL14880308 0.80 SRC (0.63) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL629964 0.79 CA12 (0.66) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL30382562 0.79 CA12 (0.66) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL26885171 0.79 HPGDS (0.50) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL2735777 0.79 CA12 (0.66) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL27583779 0.77 SRC (0.50) SRCPOLA1MEN1KMT2AMAPT
SCHEMBL11154417 0.76 KMT2A (0.62) MEN1KMT2AMAPTMITFGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 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-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

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 SRC 171/4885ALOX5 3875/4885POLA1 2799/4885
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 SRC 118/4885ALOX5 2123/4885POLA1 4673/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 SRC 106/4885ALOX5 4046/4885POLA1 2035/4885

“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.