SCHEMBL16304151

SCHEMBL16304151

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.42
P2RX3 P56373 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16304152 0.93 PTGER4 (0.46) PTGER4MMP13
SCHEMBL16305143 0.90 PTGER4 (0.53) PTGER4NR1H4KDM4EALDH1A1
SCHEMBL16304493 0.89 PTGER4 (0.47) PTGER4MMP13
SCHEMBL16305136 0.88 PTGER4 (0.51) PTGER4NR1H4MMP13
SCHEMBL17684601 0.83 P2RX3 (0.41) PTGER4P2RX3LMNAALDH1A1MAPT
SCHEMBL16304472 0.82 PTGER4 (0.53) PTGER4LMNAALDH1A1MAPT
SCHEMBL16304149 0.82 PTGER4 (0.40) PTGER4P2RX3
SCHEMBL20114020 0.82 PTGER4 (0.40) PTGER4P2RX3
SCHEMBL16304476 0.80 PTGER4 (0.41) PTGER4
SCHEMBL16305041 0.79 PTGER4 (0.50) PTGER4LMNAALDH1A1MAPT

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 1/4885P2RX3 172/4885CPT1A 2873/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885P2RX3 127/4885CPT1A 3124/4885

“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.