SCHEMBL17684637

SCHEMBL17684637

CCc1nc(C#CC(C)(C)O)c(C(=O)NCC2CCC(C(=O)OC)CC2)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.45
▸ MDM2 Q00987 3/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RORC P51449 9/20 0.38
▸ NAPEPLD Q6IQ20 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35

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
SCHEMBL17684635 1.00 PTGER4 (0.45) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL16304060 0.92 PTGER4 (0.53) PTGER4MDM2GSK3BRORCNAPEPLD
SCHEMBL17684481 0.92 PTGER4 (0.53) PTGER4MDM2GSK3BRORCNAPEPLD
SCHEMBL17684820 0.92 PTGER4 (0.45) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL17684823 0.92 PTGER4 (0.45) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL16304872 0.90 AGTR2 (0.42) PTGER4MDM2GSK3BRORCNAPEPLD
SCHEMBL16304061 0.87 PTGER4 (0.51) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL20113515 0.87 PTGER4 (0.51) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL17684517 0.87 PTGER4 (0.46) PTGER4MDM2GSK3BCYP3A4MAPT
SCHEMBL16305036 0.87 PTGER4 (0.46) PTGER4MDM2GSK3BCYP3A4MAPT

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 7 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-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 — — US 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-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 PTGER4 1/4885MDM2 4017/4885GSK3B 1691/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885MDM2 4001/4885GSK3B 1761/4885

“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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