SCHEMBL17684652

SCHEMBL17684652

COC(=O)c1ccc(CNC(=O)c2c(C#CC(C)(C)O)nc(Cl)n2Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
PTGER4 P35408 6/20 0.44
LSS P48449 1/20 0.40
EPHX2 P34913 3/20 0.39
MAPK14 Q16539 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
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
SCHEMBL16305069 0.91 PTGER4 (0.52) RORCPTGER4LSSEPHX2NR1H4
SCHEMBL17684304 0.88 RORC (0.45) RORCPTGER4LSSEPHX2MAPK14
SCHEMBL17684432 0.87 KDM4E (0.41) PTGER4PTGDR2DRD2TBXA2RMAPT
SCHEMBL16305136 0.86 PTGER4 (0.51) RORCPTGER4LSSEPHX2MAPK14
SCHEMBL17684521 0.86 PTGER4 (0.46) PTGER4TBXA2RKMT2AMAPT
SCHEMBL17690477 0.84 NR1H4 (0.48) PTGER4EPHX2NR1H4PTGDR2PPARG
SCHEMBL17684601 0.84 P2RX3 (0.41) PTGER4DRD2TBXA2RMEN1CYP2C19
SCHEMBL16305088 0.84 RORC (0.48) RORCPTGER4
SCHEMBL17684796 0.83 RORC (0.48) RORCPTGER4LSSEPHX2MAPK14
SCHEMBL16305091 0.82 PTGER4 (0.37) RORCPTGER4LSSEPHX2NR1H4

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 RORC 43/4885PTGER4 1/4885LSS 2505/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 RORC 35/4885PTGER4 1/4885LSS 2760/4885

“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.