SCHEMBL3784076

SCHEMBL3784076

CC(C)(C)c1ncc(OCC(=O)O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ELANE P08246 1/20 0.40
CD69 Q07108 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MAP4K4 O95819 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
PTPN7 P35236 1/20 0.37

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
SCHEMBL29760467 0.80 MCL1 (0.55) CYP2C19MCL1SMN1; SMN2TDP1LMNA
SCHEMBL21718926 0.79 NQO1 (0.35) LMNAKMT2AKDM4E
SCHEMBL21718904 0.75 CA1 (0.38) SMN1; SMN2LMNATSHRKMT2A
SCHEMBL3930793 0.74 MCL1 (0.60) CYP2C19MCL1SMN1; SMN2TDP1LMNA
SCHEMBL26730007 0.72 MCL1 (0.62) CYP2C19MCL1SMN1; SMN2TDP1LMNA
SCHEMBL23321188 0.71 ALOX15 (0.52) MCL1SMN1; SMN2TDP1LMNAALOX15
SCHEMBL22601788 0.71 MCL1 (0.56) CYP2C19MCL1TDP1LMNAALOX15
SCHEMBL22588114 0.70 LDHA (0.47) MCL1TDP1LMNAALOX15KMT2A
SCHEMBL29689706 0.70 LDHA (0.47) MCL1TDP1LMNAALOX15KMT2A
SCHEMBL3787327 0.70 SMN1; SMN2 (0.60) CYP2C19MCL1SMN1; SMN2LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO disclosed
EP-1882687-A1 Heterocyclic compounds useful as vanilloid receptor antagonists and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2008-01-30 EP 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CYP2C19 640/4885MCL1 1869/4885SMN1; SMN2 1290/4885

“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.