SCHEMBL17728259

SCHEMBL17728259

COC(=O)C1CCC(CNC(=O)c2cnc(Cl)n2Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.47
▸ RORC P51449 8/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CHRM4 P08173 1/20 0.40
▸ CRHR1 P34998 3/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ CCR9 P51686 1/20 0.38

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
SCHEMBL17728258 1.00 PTGER4 (0.47) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL17684710 0.89 PTGER4 (0.46) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL17684713 0.89 PTGER4 (0.46) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL16304461 0.89 KCNH2 (0.45) MAPTKCNH2CACNA1I
SCHEMBL17684804 0.89 KCNH2 (0.45) MAPTKCNH2CACNA1I
SCHEMBL17684514 0.82 PTGER4 (0.49) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL17684511 0.82 PTGER4 (0.49) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL20113991 0.80 ALDH1A1 (0.41) MAPTKCNH2CACNA1I
SCHEMBL17684517 0.79 PTGER4 (0.46) PTGER4RORCGSK3BMDM2CYP3A4
SCHEMBL16305036 0.79 PTGER4 (0.46) PTGER4RORCGSK3BMDM2CYP3A4

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
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-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
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 — — US 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 1/4885RORC 43/4885GSK3B 1691/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 PTGER4 1/4885RORC 35/4885GSK3B 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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