SCHEMBL4640545

SCHEMBL4640545

COc1cc(OCC(=O)O)ccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.51
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MCL1 Q07820 1/20 0.48
PTPN7 P35236 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29689584 0.87 MRGPRX4 (0.60) SMN1; SMN2LMNAPTGDR2POLBTSHR
SCHEMBL22601800 0.87 MRGPRX4 (0.60) SMN1; SMN2LMNAPTGDR2POLBTSHR
SCHEMBL4641630 0.86 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPTGDR2TSHRALOX15
SCHEMBL5325555 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPTGDR2TSHRALOX15
SCHEMBL14501962 0.84 TNFRSF1A (0.45) LMNAPOLBNR1H4MRGPRX4EPHX2
SCHEMBL4640556 0.84 TSHR (0.56) SMN1; SMN2LMNAPTGDR2TSHRHSD17B10
SCHEMBL3176485 0.82 LMNA (0.62) SMN1; SMN2LMNAPOLBTSHRHSD17B10
SCHEMBL4640614 0.82 RXRA (0.53) SMN1; SMN2PTGDR2ALOX15PTPN7MRGPRX4
SCHEMBL5321039 0.81 MCL1 (0.62) SMN1; SMN2LMNAPTGDR2TSHRALOX15
SCHEMBL4641530 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPTGDR2TSHRALOX15

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
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
EP-1824837-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 EP disclosed
EP-1824837-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS Pfizer, Inc. (US) 2007-08-29 EP disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
WO-2006051378-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2006-05-18 WO disclosed
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER, INC. 2006-05-11 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF SMN1; SMN2 4525/4885LMNA 4790/4885PTGDR2 3255/4885
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 SMN1; SMN2 1424/4885LMNA 2299/4885PTGDR2 406/4885

“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.