SCHEMBL17690477

SCHEMBL17690477

Cc1cc(CNC(=O)c2c(C#CC(C)(C)O)nc(Cl)n2Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.48
PTGER4 P35408 9/20 0.42
PPARG P37231 2/20 0.41
EPHX2 P34913 1/20 0.41
SORT1 Q99523 2/20 0.40
PTGER3 P43115 1/20 0.37
MMP13 P45452 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
P2RY14 Q15391 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16305069 0.89 PTGER4 (0.52) NR1H4PTGER4PPARGEPHX2PTGER3
SCHEMBL17684652 0.84 RORC (0.44) NR1H4PTGER4PPARGEPHX2PTGDR2
SCHEMBL16305088 0.83 RORC (0.48) PTGER4PTGER3MMP13
SCHEMBL17684549 0.82 CCR9 (0.41) PTGER4PTGER3PTGDR2
SCHEMBL16305092 0.82 NR1H4 (0.38) NR1H4PTGER4EPHX2
SCHEMBL16305136 0.80 PTGER4 (0.51) NR1H4PTGER4PPARGEPHX2PTGER3
SCHEMBL16305091 0.79 PTGER4 (0.37) NR1H4PTGER4PPARGEPHX2CNR1
SCHEMBL17690495 0.79 SMN1; SMN2 (0.37) PTGER4PPARGCNR1CNR2
SCHEMBL16305067 0.78 PTGER4 (0.62) PTGER4PTGER3
SCHEMBL17684432 0.78 KDM4E (0.41) PTGER4PTGER3PTGDR2

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
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 EP disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 EP 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 (2 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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 NR1H4 121/4885PTGER4 1/4885PPARG 145/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 NR1H4 214/4885PTGER4 1/4885PPARG 233/4885

“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.