SCHEMBL14944968

SCHEMBL14944968

CC(NC(=O)OC(C)(C)C)[C@@H](O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CYP2D6 P10635 1/20 0.51
CTSK P43235 9/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40
PREP P48147 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL14944967 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL12396266 0.85 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL7889210 0.85 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL10015869 0.85 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL24069882 0.85 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL16492819 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL15081448 0.84 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL19102018 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL20725932 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL13508405 0.83 CA1 (0.52) CA1CA2CA7CYP2D6CTSK

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-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 CA1 3812/4885CA2 1291/4885CA7 3618/4885

“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.