SCHEMBL215383

SCHEMBL215383

NC(=O)NC(CCS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.44
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACE P12821 1/20 0.38
ENPEP Q07075 2/20 0.38
ANPEP P15144 1/20 0.38
GNPAT O15228 1/20 0.37
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.34

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
SCHEMBL215384 1.00 FOLH1 (0.44) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL1289325 0.82 KDM4E (0.61) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL12461743 0.82 GNPAT (0.52) FOLH1RIMKLANAALAD2TGFBR1GNPAT
SCHEMBL478268 0.82 KDM4E (0.61) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL478269 0.82 KDM4E (0.61) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL1147075 0.80 TGFBR1 (0.47) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL1147073 0.80 TGFBR1 (0.47) FOLH1RIMKLANAALAD2KDM4EMAPT
Hydrazine SCHEMBL9545541 0.79 SMN1; SMN2 (0.64) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4649931 0.79 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4649933 0.79 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT

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 19 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
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-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
EP-2038254-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-03-25 EP 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
US-7070936-B1 Method for designing protein kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-07-04 US disclosed
US-20060089401-A1 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2006-04-27 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-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
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 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 (6 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 FOLH1 1281/4885RIMKLA 3691/4885NAALAD2 1368/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 FOLH1 1287/4885RIMKLA 3221/4885NAALAD2 1317/4885
US-20060089401-A1 Kinase inhibitors MAP3K5, MAP3K20, MAP4K5 FOLH1 1160/4885RIMKLA 2663/4885NAALAD2 1134/4885
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 FOLH1 4100/4885RIMKLA 2976/4885NAALAD2 2430/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 FOLH1 3807/4885RIMKLA 3192/4885NAALAD2 2638/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 FOLH1 1287/4885RIMKLA 3221/4885NAALAD2 1317/4885

“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.