SCHEMBL17412730

SCHEMBL17412730

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ MPL P40238 5/20 0.34
▸ ADORA3 P0DMS8 3/20 0.33
▸ SAE1 Q9UBE0 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL17412784 0.94 PDCD1 (0.34) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17412762 0.94 PDCD1 (0.34) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17400502 0.92 MPL (0.41) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17412711 0.91 MPL (0.42) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17412791 0.87 ADORA3 (0.42) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17412750 0.86 ADORA3 (0.43) PDCD1CD274MPLADORA3
SCHEMBL17400500 0.85 MPL (0.41) TRPV4PDCD1CD274MPLADORA3
SCHEMBL17412770 0.85 ADORA3 (0.41) TRPV4PDCD1CD274MPLADORA3
SCHEMBL18470732 0.85 MPL (0.42) PDCD1CD274MPLADORA3
SCHEMBL17400616 0.85 MPL (0.41) TRPV4PDCD1CD274MPLADORA3

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 TRPV4 23/4885PDCD1 4543/4885CD274 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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