SCHEMBL17412748

SCHEMBL17412748

CC[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(N3CCC(C(=O)O)CC3)cn2)nc1-c1cc(Cl)cc(OCF)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 12/20 0.42
▸ ADORA3 P0DMS8 6/20 0.39
▸ PTGS1 P23219 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CRHR1 P34998 1/20 0.34

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
SCHEMBL17412771 0.94 ADORA3 (0.39) MPLADORA3
SCHEMBL17412785 0.93 MPL (0.42) MPLADORA3PTGS1KCNH2
SCHEMBL17400563 0.93 MPL (0.44) MPLADORA3PTGS1KCNH2
SCHEMBL17400490 0.92 MPL (0.44) MPLADORA3CRHR1
SCHEMBL17412713 0.89 ADORA3 (0.44) MPLADORA3
SCHEMBL17400703 0.87 MPL (0.42) MPLADORA3PTGS1KCNH2
SCHEMBL17412744 0.86 ADORA3 (0.45) MPLADORA3
SCHEMBL17412717 0.86 MPL (0.43) MPLADORA3
SCHEMBL18470743 0.86 MPL (0.41) MPLADORA3
SCHEMBL17400491 0.86 MPL (0.44) MPLADORA3CRHR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 — — 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 (1 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 MPL 3292/4885ADORA3 56/4885PTGS1 3267/4885

“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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