SCHEMBL1472371

SCHEMBL1472371

CCCCCOS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.50
BLM P54132 1/20 0.50
CA2 P00918 11/20 0.44
CA1 P00915 10/20 0.44
CA9 Q16790 9/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CA12 O43570 4/20 0.43
CA7 P43166 4/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43

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
SCHEMBL27670053 0.95 CA2 (0.46) RECQLTSHRGLAHPGDMAPK1
SCHEMBL27995614 0.89 RECQL (0.57) RECQLTSHRGLAHPGDMAPK1
SCHEMBL27520719 0.89 RECQL (0.57) RECQLTSHRGLAHPGDMAPK1
SCHEMBL19809912 0.87 L3MBTL1 (0.45) TSHRMAPK1CA2CA1CA9
SCHEMBL27550478 0.87 RECQL (0.55) RECQLTSHRGLAHPGDMAPK1
SCHEMBL283871 0.84 MCHR1 (0.47) RECQLTSHRGLAHPGDMAPK1
SCHEMBL15000837 0.83 MEN1 (0.46) CA2CA1CA9CA12CA7
SCHEMBL5015857 0.83 RECQL (0.50) RECQLTSHRGLAHPGDMAPK1
SCHEMBL10725263 0.83 RECQL (0.50) RECQLTSHRGLAHPGDMAPK1
SCHEMBL2194649 0.83 RECQL (0.50) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602228-A Nickel phosphate catalysts MAXDEM INCORPORATED (US) 1997-02-11 US claimed
WO-1996039455-A1 NICKEL PHOSPHITE CATALYSTS MAXDEM INCORPORATED (US) 1996-12-12 WO claimed
US-20130045993-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND THEIR USE Piramal Enterprises Limited (IN) 2013-02-21 US disclosed
US-8304449-B2 Inhibitors of cyclin dependent kinases and their use PIRAMAL HEALTHCARE LIMITED (IN) 2012-11-06 US disclosed
US-20110136873-A1 Inhibitors of Cyclin Dependent Kinases and Their Use PIRAMAL LIFE SCIENCES LTD. (IN) 2011-06-09 US disclosed
US-7915301-B2 chromenone derivatives of nitrogen-, oxygen- or sulfur-containing saturated heterocycles; preparation by cyclizing benzoyl intermediates; antiproliferative agents; 2-(2-Chloro-phenyl)-8-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-5,7-dimethoxy-chromen-4-one Piramal Life Science Limited (IN) 2011-03-29 US disclosed
EP-1556375-B1 FLAVONE DERIVATIVES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES NICHOLAS PIRAMAL INDIA LTD (IN) 2008-06-25 EP disclosed
US-20080108690-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2008-05-08 US disclosed
US-7271193-B2 Inhibitors of cyclin-dependent kinases and their use NICHOLAS PIRAMAL INDIA, LTD. (IN) 2007-09-18 US disclosed
US-20040106581-A1 Inhibitors of cyclin-dependent kinases and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2004-06-03 US disclosed
US-5858907-A Nickel phosphite catalysts MAXDEM, INCORPORATED (US) 1999-01-12 US disclosed
US-5602228-A Nickel phosphate catalysts MAXDEM INCORPORATED (US) 1997-02-11 US disclosed
WO-1996039455-A1 NICKEL PHOSPHITE CATALYSTS MAXDEM INCORPORATED (US) 1996-12-12 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 (4 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-20040106581-A1 Inhibitors of cyclin-dependent kinases and their use CCNK, CCNI, CDK1 RECQL 297/4885TSHR 2892/4885GLA 2999/4885
US-20080108690-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AND THEIR USE CDK1, CCNK, CCNI RECQL 195/4885TSHR 2164/4885GLA 3399/4885
US-20110136873-A1 Inhibitors of Cyclin Dependent Kinases and Their Use CDK1, CCNK, CCNI RECQL 195/4885TSHR 2164/4885GLA 3399/4885
US-20130045993-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES AND THEIR USE CDK1, CCNK, CCNI RECQL 263/4885TSHR 1950/4885GLA 3661/4885

“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.