SCHEMBL17684481

SCHEMBL17684481

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.53
▸ MDM2 Q00987 5/20 0.42
▸ RORC P51449 5/20 0.38
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ MMP12 P39900 1/20 0.35
▸ SYK P43405 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
SCHEMBL16304060 1.00 PTGER4 (0.53) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL17684635 0.92 PTGER4 (0.45) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL17684637 0.92 PTGER4 (0.45) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL16304061 0.92 PTGER4 (0.51) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL20113515 0.92 PTGER4 (0.51) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL17684492 0.91 PTGER4 (0.54) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL16305068 0.91 PTGER4 (0.54) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL16304872 0.91 AGTR2 (0.42) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL17684430 0.86 PTGER4 (0.55) PTGER4MDM2RORCCKS1BSKP1
SCHEMBL17684429 0.86 PTGER4 (0.55) PTGER4MDM2RORCCKS1BSKP1

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-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-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 4017/4885RORC 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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