SCHEMBL17728261

SCHEMBL17728261

CCc1ncc(C(=O)O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 5/20 0.55
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ CCR2 P41597 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ FABP4 P15090 2/20 0.42
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL17684737 0.86 AGTR1 (0.46) CCR9PTGDR2KDM4E
SCHEMBL15653992 0.85 CCR9 (0.56) CCR9PTGDR2CCR2
SCHEMBL17735991 0.84 GPR35 (0.48) CCR9PTGDR2KDM4EALDH1A1
SCHEMBL17684424 0.83 CCR9 (0.61) CCR9PTGDR2CCR2KDM4EFABP4
SCHEMBL28057475 0.79 CCR9 (0.42) CCR9PTGDR2KDM4EALDH1A1FABP4
SCHEMBL16304877 0.78 AGTR1 (0.42) CCR9PTGDR2KDM4EALDH1A1
SCHEMBL17684539 0.78 CCR9 (0.56) CCR9PTGDR2CCR2FABP4MDM2
SCHEMBL14476245 0.75 MAPT (0.47) CCR9PTGDR2KDM4EALDH1A1MDM2
SCHEMBL17684713 0.74 PTGER4 (0.46) MDM2
SCHEMBL17684710 0.74 PTGER4 (0.46) MDM2

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 8 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-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
CN-105431416-A 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMA CO LTD 2016-03-23 — — CN 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 CCR9 114/4885PTGDR2 33/4885CCR2 191/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 CCR9 83/4885PTGDR2 26/4885CCR2 149/4885

“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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