SCHEMBL9515243

SCHEMBL9515243

CCC(=Cc1cc(Cl)nc(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
GRIK1 P39086 1/20 0.36
EPHX2 P34913 2/20 0.35
S1PR2 O95136 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
ESR1 P03372 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTB4R Q15722 1/20 0.32

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
SCHEMBL9515238 1.00 TBXAS1 (0.43) TBXAS1GRIK1EPHX2S1PR2CYP3A4
SCHEMBL12499092 0.84 TBXAS1 (0.36) TBXAS1EPHX2CYP2C9ALDH1A1MAPK1
SCHEMBL12499098 0.84 TBXAS1 (0.36) TBXAS1EPHX2CYP2C9ALDH1A1MAPK1
SCHEMBL17053149 0.81 TBXAS1 (0.43) TBXAS1EPHX2CYP3A4CYP2C9PPARG
SCHEMBL2392804 0.79 TTR (0.41) TBXAS1GRIK1EPHX2CYP3A4CYP2C9
SCHEMBL1914012 0.77 TBXAS1 (0.47) TBXAS1GRIK1EPHX2CYP3A4CYP2C9
SCHEMBL12499649 0.77 TBXAS1 (0.50) TBXAS1GRIK1EPHX2CYP3A4CYP2C9
SCHEMBL12499645 0.77 TBXAS1 (0.50) TBXAS1GRIK1EPHX2CYP3A4CYP2C9
SCHEMBL2391722 0.76 ALDH1A1 (0.44) TBXAS1CYP3A4PPARGESR1PSEN1
SCHEMBL5991566 0.76 TBXAS1 (0.46) TBXAS1GRIK1EPHX2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO disclosed
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP 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 (1 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 TBXAS1 3168/4885GRIK1 963/4885EPHX2 1683/4885

“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.