SCHEMBL20021531

SCHEMBL20021531

COC(=O)c1cc(OCC2(C)CCCO2)cc(-c2ncc(C)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.65
P2RX2 Q9UBL9 20/20 0.65
CYP2C9 P11712 2/20 0.48

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
SCHEMBL17824147 0.90 P2RX3 (0.65) P2RX3P2RX2CYP2C9
SCHEMBL30091977 0.90 P2RX3 (0.65) P2RX3P2RX2CYP2C9
SCHEMBL17823740 0.84 P2RX3 (0.66) P2RX3P2RX2CYP2C9
SCHEMBL17824177 0.83 P2RX3 (0.64) P2RX3P2RX2CYP2C9
SCHEMBL28479816 0.80 P2RX3 (0.54) P2RX3P2RX2CYP2C9
SCHEMBL17824101 0.80 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL21875549 0.80 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL30092165 0.80 P2RX3 (1.00) P2RX3P2RX2CYP2C9
SCHEMBL17823580 0.77 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL17823620 0.77 P2RX3 (0.72) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides BAYER AKTIENGESELLSCHAFT (DE) 2019-02-12 US disclosed
US-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-04-05 US disclosed
US-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES EVOTEC AG (DE) 2018-04-05 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 (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-20180093980-A1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES NAT1, HNMT, PMP22 P2RX3 578/4885P2RX2 541/4885CYP2C9 1392/4885
US-10202369-B2 1,3-thiazol-2-yl substituted benzamides NAT1, HNMT, PMP22 P2RX3 578/4885P2RX2 541/4885CYP2C9 1392/4885

“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.