SCHEMBL9933946

SCHEMBL9933946

CN(C(=O)OC(C)(C)C)c1cncs1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.33
USP30 Q70CQ3 1/20 0.32
BRD4 O60885 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL4832991 0.78 GSTO1 (0.34) GPR119
SCHEMBL28702674 0.78 GPR119 (0.43) GPR119
SCHEMBL12822609 0.75 KDM4E (0.36) ALDH1A1TRPM8
SCHEMBL1163820 0.75 PAX8 (0.41) PAX8GPR119ALDH1A1BRD4GBA1
SCHEMBL29067294 0.75 GPR119 (0.37) GPR119
SCHEMBL4832540 0.75 NFKB1 (0.36) GPR119ALDH1A1TRPM8
SCHEMBL3737254 0.73 PAX8 (0.40) PAX8ALDH1A1USP30BRD4
SCHEMBL3867522 0.73 TRPM8 (0.38) TRPM8
SCHEMBL2659089 0.70 PDK2 (0.40) GPR119ALDH1A1USP30GBA1
SCHEMBL7329772 0.70 TRPM8 (0.40) GPR119USP30TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 PAX8 3760/4885GPR119 27/4885ALDH1A1 820/4885

“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.