SCHEMBL3142992

SCHEMBL3142992

O=C(O)c1ccc(Oc2ccc(F)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.51
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
XDH P47989 1/20 0.49
PPARA Q07869 7/20 0.47
PPARG P37231 3/20 0.47
SCN9A Q15858 1/20 0.47
POLB P06746 1/20 0.46
KMO O15229 1/20 0.46
PPARD Q03181 4/20 0.46
DHODH Q02127 1/20 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
SCHEMBL22439730 0.87 PPARA (0.45) S1PR2XDHPPARAPPARGSCN9A
SCHEMBL28319259 0.87 PPARA (0.47) S1PR2PPARAPPARGSCN9APPARD
SCHEMBL17870007 0.86 POLB (0.57) TSHRCASP1SMN1; SMN2POLBKMO
SCHEMBL28521601 0.86 TSHR (0.63) TSHRCASP1SMN1; SMN2XDHPPARG
SCHEMBL27666335 0.85 TSHR (0.52) TSHRCASP1SMN1; SMN2XDHPPARG
SCHEMBL524088 0.84 POLB (0.63) XDHPOLBDHODH
SCHEMBL21838875 0.83 TSHR (0.50) TSHRCASP1SMN1; SMN2XDHPOLB
SCHEMBL21274783 0.83 MAOB (0.51) S1PR2XDHPPARASCN9APOLB
SCHEMBL3139349 0.83 HPGD (0.47) S1PR2SMN1; SMN2PPARAPPARGSCN9A
SCHEMBL3140116 0.81 KDM4E (0.55) S1PR2PPARAPPARGSCN9APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 S1PR2 1805/4885TSHR 359/4885CASP1 887/4885

“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.