SCHEMBL12409583

SCHEMBL12409583

CCOC(=O)Cc1cc(Oc2ccc(N=O)cc2CSC(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
CYP4Z1 Q86W10 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 2/20 0.31
SYK P43405 1/20 0.31
PPARD Q03181 1/20 0.30
FFAR1 O14842 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL2280519 0.88 CETP (0.37) RXRARXRBRXRGALDH1A1EPHX1
SCHEMBL349730 0.84 CETP (0.40) ALDH1A1POLBHTT
SCHEMBL349226 0.83 CYP3A4 (0.42) ALDH1A1POLBHTT
SCHEMBL1643581 0.76 SLC6A4 (0.44) RXRARXRBRXRGALDH1A1SYK
SCHEMBL2275883 0.75 MAPK1 (0.35) RXRARXRBRXRGALDH1A1SYK
SCHEMBL1645250 0.74 SLC6A4 (0.44) RXRARXRBRXRGALDH1A1
SCHEMBL13521855 0.73 MAPK1 (0.38) EGFRRXRARXRBRXRGSYK
SCHEMBL350170 0.72 LMNA (0.37) ALDH1A1POLBHTT
SCHEMBL13761009 0.72 RXRA (0.34) RXRARXRBRXRGALDH1A1SYK
SCHEMBL1570668 0.72 CETP (0.41) ALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 EGFR 2591/4885CYP4Z1 2597/4885RXRA 321/4885

“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.