SCHEMBL16304978

SCHEMBL16304978

O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1c(C#CC2(O)CCCC2)nc(Cl)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.51
▸ MDM2 Q00987 5/20 0.41
▸ RORC P51449 3/20 0.36
▸ MMP12 P39900 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ NAPEPLD Q6IQ20 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL18843620 1.00 PTGER4 (0.51) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL16304973 0.99 PTGER4 (0.50) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL17684430 0.87 PTGER4 (0.55) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL17684429 0.87 PTGER4 (0.55) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL16305068 0.86 PTGER4 (0.54) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL17684492 0.86 PTGER4 (0.54) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL20113519 0.84 PTGER4 (0.53) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL16304971 0.84 PTGER4 (0.53) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL16305043 0.84 PTGER4 (0.53) PTGER4MDM2RORCMMP12CHRM4
SCHEMBL17684669 0.84 PTGER4 (0.52) PTGER4MDM2RORCMMP12CHRM4

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-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 1/4885MDM2 4017/4885RORC 43/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885MDM2 4001/4885RORC 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.

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