SCHEMBL16304516

SCHEMBL16304516

COCC#Cc1nc(Cl)n(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.51
MMP13 P45452 1/20 0.42
RORC P51449 1/20 0.42
PTGER3 P43115 1/20 0.41
MAPK14 Q16539 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LSS P48449 1/20 0.40

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
SCHEMBL16305136 0.87 PTGER4 (0.51) PTGER4MMP13RORCPTGER3MAPK14
SCHEMBL16305069 0.86 PTGER4 (0.52) PTGER4MMP13RORCPTGER3EPHX2
SCHEMBL17684652 0.81 RORC (0.44) PTGER4RORCMAPK14EPHX2NR1H4
SCHEMBL16305088 0.79 RORC (0.48) PTGER4MMP13RORCPTGER3
SCHEMBL16304493 0.79 PTGER4 (0.47) PTGER4MMP13
SCHEMBL16304476 0.78 PTGER4 (0.41) PTGER4PTGER3
SCHEMBL16305143 0.78 PTGER4 (0.53) PTGER4EPHX2NR1H4
SCHEMBL17690477 0.76 NR1H4 (0.48) PTGER4MMP13PTGER3EPHX2NR1H4
SCHEMBL16304481 0.76 PTGER4 (0.48) PTGER4MMP13RORCPTGER3EPHX2
SCHEMBL17684796 0.76 RORC (0.48) PTGER4RORCMAPK14EPHX2NR1H4

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 6 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
WO-2014200075-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT 科研製薬株式会社 (JP) 2014-12-18 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 (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 PTGER4 1/4885MMP13 1557/4885RORC 43/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885MMP13 1934/4885RORC 35/4885

“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.