SCHEMBL2283387

SCHEMBL2283387

CCOC(=O)Cc1cccc(Oc2ccc(Br)cc2CSCC(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
CYP1A2 P05177 2/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP8 Q14790 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL2278370 0.89 F10 (0.42) F10CYP1A2CASP1CASP3CASP7
SCHEMBL2282521 0.87 F10 (0.39) F10CYP1A2CASP1CASP3CASP7
SCHEMBL2279930 0.86 F10 (0.38) F10MEN1KMT2ALMNAMAPT
SCHEMBL1644135 0.84 F10 (0.44) F10CYP1A2MEN1KMT2ALMNA
SCHEMBL1644681 0.84 F10 (0.44) F10CYP1A2MEN1KMT2ALMNA
SCHEMBL2278254 0.84 PPARG (0.48) F10MAPTNPSR1PPARGPPARA
SCHEMBL2278029 0.82 ALDH1A1 (0.48) F10MEN1KMT2ALMNAHPGD
SCHEMBL2280306 0.81 FFAR1 (0.44) F10CYP1A2
SCHEMBL2281413 0.80 CYP1A2 (0.49) CYP1A2CASP1CASP3CASP7CASP8
SCHEMBL1643891 0.80 SLC7A5 (0.41) CYP1A2MEN1KMT2ALMNAHPGD

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 5 patents. 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
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (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 F10 2847/4885CYP1A2 537/4885CASP1 3913/4885

“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.