SCHEMBL6502970

SCHEMBL6502970

Fc1ccc(-c2sccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
PTGS1 P23219 11/20 0.49
PTGS2 P35354 6/20 0.45
PGR P06401 1/20 0.44
CASP3 P42574 4/20 0.41

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
SCHEMBL3127775 0.78 PGR (0.44) PGRCASP3
SCHEMBL7407725 0.78 PGR (0.44) MAPK14PGRCASP3
SCHEMBL28813679 0.78 PGR (0.47) PGRCASP3
SCHEMBL1895888 0.77 CASP3 (0.56) PTGS2PGRCASP3
SCHEMBL10843937 0.76 MAPK14 (0.79) MAPK14PTGS1PTGS2
SCHEMBL9773297 0.75 RAB9A (0.47) PGRCASP3
SCHEMBL4197618 0.74 MAPK14 (0.50) MAPK14PTGS1PTGS2
SCHEMBL693906 0.74 CYP2A6 (0.59) MAPK14PTGS1PTGS2
SCHEMBL5561057 0.74 ESR1 (0.47) MAPK14PTGS1PGRCASP3
SCHEMBL29085013 0.74 HSD17B1 (0.47) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102464667-B Five-membered heterocycle pyrimidine compounds, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2014-06-04 CN disclosed
CN-102464667-A Five-membered heterocyclic pyrimidine compounds, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2012-05-23 CN disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 US 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA MAPK14 3292/4885PTGS1 63/4885PTGS2 132/4885

“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.