SCHEMBL4640520

SCHEMBL4640520

CC1(C)CCCc2cc(OCC(=O)O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
CYP26A1 O43174 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP26B1 Q9NR63 2/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RXRA P19793 4/20 0.45
RXRB P28702 4/20 0.45
RXRG P48443 4/20 0.45
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MCL1 Q07820 1/20 0.43
PPARG P37231 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL4642231 0.92 HSD17B10 (0.60) HSD17B10ALOX15TSHRCYP26A1CYP3A4
SCHEMBL14099213 0.84 ALDH1A1 (0.46) HSD17B10ALOX15TSHRCYP26A1CYP3A4
SCHEMBL2729878 0.79 TSHR (0.93) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL6527201 0.79 TSHR (1.00) HSD17B10ALOX15TSHRALDH1A1KDM4E
SCHEMBL5421175 0.76 GAA (0.50) HSD17B10ALOX15TSHRCYP26A1CYP3A4
SCHEMBL4640481 0.76 KDM1A (0.61)
SCHEMBL14099388 0.75 SMN1; SMN2 (0.58) HSD17B10ALOX15TSHRALDH1A1MAPT
SCHEMBL4640630 0.75 RXRA (0.50) HSD17B10ALOX15TSHRCYP26A1CYP3A4
SCHEMBL1495909 0.75 GRM2 (0.50) HSD17B10TSHRCYP3A4ALDH1A1KDM4E
SCHEMBL1495907 0.75 GRM2 (0.50) HSD17B10TSHRCYP3A4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US 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 (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-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 HSD17B10 2884/4885ALOX15 1998/4885TSHR 389/4885

“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.