SCHEMBL15545165

SCHEMBL15545165

O=C(OCc1ccccc1Cl)N1C=Cc2ncsc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.40
SENP8 Q96LD8 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
SENP6 Q9GZR1 3/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ENPP2 Q13822 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A2 P43354 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 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
SCHEMBL15544063 0.92 PTGDR2 (0.41) CASP3SENP8SENP7SENP6MEN1
SCHEMBL15544581 0.88 GRIN2B (0.41) MEN1KMT2APTGDR2POLBALDH1A1
SCHEMBL15544959 0.87 PTGDR2 (0.43) MEN1PKMKMT2APTGDR2ALDH1A1
SCHEMBL15545181 0.85 PTGDR2 (0.43) PTGDR2ALDH1A1L3MBTL1
SCHEMBL15543943 0.84 P2RX4 (0.40) MEN1KMT2APTGDR2ALDH1A1L3MBTL1
SCHEMBL15546005 0.84 PTGDR2 (0.41) PTGDR2F13A1TGM2TGM1GRIN2B
SCHEMBL15545593 0.83 PTGDR2 (0.45) PTGDR2
SCHEMBL16765891 0.83 PTGDR2 (0.40) PTGDR2ALDH1A1MAPTGRIN2B
SCHEMBL15545036 0.82 PTGDR2 (0.39) MEN1KMT2APTGDR2POLBALDH1A1
SCHEMBL15544699 0.81 PTGDR2 (0.43) PKMPTGDR2ALDH1A1ENPP2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 CASP3 3663/4885SENP8 4659/4885SENP7 4688/4885

“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.