SCHEMBL966231

SCHEMBL966231

CC(=O)NC1CC(C(=O)O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GRM6 O15303 2/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM8 O00222 1/20 0.33
HPSE Q9Y251 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CD81 P60033 1/20 0.32
APLNR P35414 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ENPP2 Q13822 1/20 0.30
FFAR3 O14843 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
SCHEMBL962999 1.00 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1ATMALDH1A1GRM6
SCHEMBL17219887 1.00 SMN1; SMN2 (0.33) SMN1; SMN2NPSR1ATMALDH1A1GRM6
SCHEMBL12500686 0.82 PSEN1 (0.34) ATMALDH1A1KDM4E
SCHEMBL31336576 0.81 ATM (0.42) ATMALDH1A1KDM4E
SCHEMBL23826720 0.76 CD81 (0.32) CD81FFAR3
SCHEMBL16440048 0.76 CD81 (0.32) CD81FFAR3
SCHEMBL16440047 0.76 CD81 (0.32) CD81FFAR3
SCHEMBL960929 0.75 BTK (0.51)
SCHEMBL12500761 0.75 BTK (0.51)
SCHEMBL964639 0.75 BTK (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
EP-2454270-B1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2015-02-11 EP disclosed
EP-2454270-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS Hetero Research Foundation (IN) 2012-05-23 EP disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
WO-2011007230-A2 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 WO disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS SMN1; SMN2 3970/4885NPSR1 2447/4885ATM 4224/4885

“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.