SCHEMBL17412711

SCHEMBL17412711

CC[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(N3CCC(C(=O)O)CC3)cn2)nc1-c1ccc(OC)c(CF)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 11/20 0.42
▸ ADORA3 P0DMS8 5/20 0.42
▸ PDCD1 Q15116 3/20 0.37
▸ CD274 Q9NZQ7 3/20 0.37
▸ TRPV4 Q9HBA0 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
SCHEMBL17412791 0.96 ADORA3 (0.42) MPLADORA3PDCD1CD274TRPV4
SCHEMBL17412750 0.94 ADORA3 (0.43) MPLADORA3PDCD1CD274
SCHEMBL17412770 0.94 ADORA3 (0.41) MPLADORA3PDCD1CD274TRPV4
SCHEMBL18470732 0.94 MPL (0.42) MPLADORA3PDCD1CD274
SCHEMBL17412725 0.93 MPL (0.42) MPLADORA3PDCD1CD274TRPV4
SCHEMBL18470661 0.92 MPL (0.44) MPLADORA3PDCD1CD274
SCHEMBL17400635 0.92 MPL (0.45) MPLADORA3PDCD1CD274TRPV4
SCHEMBL17412751 0.92 MPL (0.48) MPLADORA3
SCHEMBL17412730 0.91 TRPV4 (0.35) MPLADORA3PDCD1CD274TRPV4
SCHEMBL17412745 0.91 ADORA3 (0.42) MPLADORA3PDCD1CD274TRPV4

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 56/4885PDCD1 4543/4885

“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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