SCHEMBL214738

SCHEMBL214738

CCCOc1ccc(C#N)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.40
TRPV4 Q9HBA0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A9 P48067 1/20 0.40
MPO P05164 1/20 0.39
LTA4H P09960 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6954239 0.86 TRPV4 (0.53) ALDH1A1HPGDMAPTTRPV4MEN1
SCHEMBL6620128 0.83 PTGDR2 (0.38) ALDH1A1HPGDMAPTTRPV4GAA
SCHEMBL16198782 0.81 ALDH1A1 (0.51) ALDH1A1HPGDMAPTTRPV4KDM4E
SCHEMBL16950716 0.81 SLC6A9 (0.43) ALDH1A1HPGDMAPTTRPV4KDM4E
SCHEMBL23588252 0.80 CSNK2A1 (0.55) MAPTTRPV4ATMCSNK2A1
SCHEMBL15499275 0.80 ALDH1A1 (0.40) ALDH1A1HPGDMAPTTRPV4KDM4E
SCHEMBL9969445 0.80 SLC6A9 (0.47) ALDH1A1HPGDMAPTTRPV4KDM4E
SCHEMBL5440161 0.80 AR (0.49) TRPV4MPO
SCHEMBL31527870 0.80 USP2 (0.60) ALDH1A1HPGDMAPTTRPV4KDM4E
SCHEMBL523551 0.80 MPO (0.54) ALDH1A1HPGDMAPTTRPV4KDM4E

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 32 patents — showing the first 20. 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-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 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-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 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-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
US-7129225-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-10-31 US disclosed
US-20060172971-A1 Protection against and treatment of hearing loss NICOTERA THOMAS 2006-08-03 US disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 US disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 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 (7 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 ALDH1A1 4474/4885HPGD 3831/4885MAPT 2559/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 ALDH1A1 4555/4885HPGD 3575/4885MAPT 2340/4885
US-20060172971-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 ALDH1A1 2142/4885HPGD 1249/4885MAPT 3734/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 ALDH1A1 2142/4885HPGD 1249/4885MAPT 3734/4885
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 ALDH1A1 4443/4885HPGD 2080/4885MAPT 1452/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 ALDH1A1 4720/4885HPGD 3268/4885MAPT 3306/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 ALDH1A1 4555/4885HPGD 3575/4885MAPT 2340/4885

“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.