Sugi Predict

Sugi Predict / Compounds / SCHEMBL323904

SCHEMBL323904

SCHEMBL323904

O=C(OCc1cc(F)ccc1Cl)N1C=Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ PTGDR2 Q9Y5Y4 6/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL323140 0.90 MMP2 (0.42) HSD17B3PTGDR2MMP2MMP12TAS1R3
SCHEMBL325232 0.89 HSD17B3 (0.46) HSD17B3PTGDR2SGMS2TAS1R3TAS1R1
SCHEMBL323401 0.88 BCL9 (0.40) ALDH1A1L3MBTL1ALOX15NPSR1HSD17B10
SCHEMBL324263 0.86 L3MBTL1 (0.40) ALDH1A1L3MBTL1HSD17B3MMP2MMP12
SCHEMBL324441 0.84 HSD17B3 (0.43) HSD17B3PTGDR2HDAC3TDP1
SCHEMBL323574 0.83 GRIN2B (0.41) ALDH1A1L3MBTL1MMP2MMP12MMP1
SCHEMBL323930 0.82 HSD17B3 (0.46) L3MBTL1HSD17B3HDAC3TDP1HTT
SCHEMBL324380 0.82 P2RX4 (0.42) L3MBTL1PTGDR2MMP2MMP12MMP1
SCHEMBL323355 0.81 HCAR2 (0.43) PTGDR2MMP2MMP12MMP1MMP9
SCHEMBL323083 0.81 IDO1 (0.38) ALDH1A1L3MBTL1HSD17B3PTGDR2TP53

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-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 — — US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 — — EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 — — US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 — — 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 ALDH1A1 2057/4885L3MBTL1 4628/4885ALOX15 42/4885

“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.