SCHEMBL17413004

SCHEMBL17413004

COc1ccc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)O)CC4)cn3)sc2CN2CC[C@H](C)C2)cc1CF

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 11/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ CD274 Q9NZQ7 4/20 0.42
▸ PDCD1 Q15116 3/20 0.42
▸ TRPV4 Q9HBA0 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
SCHEMBL17412741 1.00 MPL (0.43) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412765 0.96 MPL (0.42) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412767 0.94 MPL (0.44) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412819 0.94 MPL (0.44) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412818 0.93 ADORA3 (0.45) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412746 0.92 ADORA3 (0.46) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17412740 0.92 TRPV4 (0.47) MPLADORA3CD274PDCD1TRPV4
SCHEMBL17400716 0.90 MPL (0.52) MPLADORA3CD274PDCD1
SCHEMBL17400568 0.90 MPL (0.52) MPLADORA3CD274PDCD1
SCHEMBL17412956 0.90 MPL (0.44) MPLADORA3CD274PDCD1TRPV4

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 56/4885CD274 4339/4885

“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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