SCHEMBL3650795

SCHEMBL3650795

O=C(O)NCCc1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
TAAR1 Q96RJ0 1/20 0.47
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
GRM5 P41594 1/20 0.42
SHMT2 P34897 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41

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
SCHEMBL9373709 0.84 TAAR1 (0.50) OPRM1OPRD1OPRK1TAAR1HDAC6
SCHEMBL7516052 0.84 KDM4E (0.56) OPRM1OPRD1OPRK1TAAR1HDAC6
SCHEMBL2983737 0.82 GRM5 (0.57) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL8847702 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1TAAR1HDAC6
SCHEMBL29145670 0.81 TAAR1 (0.47) OPRM1OPRD1OPRK1TAAR1HDAC6
SCHEMBL28121189 0.81 MTNR1A (0.50) OPRM1OPRD1OPRK1TAAR1KDM4E
SCHEMBL392452 0.80 GLA (0.58) OPRM1OPRD1OPRK1HDAC6HDAC1
SCHEMBL12017887 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1TAAR1KDM4E
SCHEMBL28121772 0.80 POLB (0.50) OPRM1OPRD1OPRK1TAAR1HDAC6
SCHEMBL18381215 0.79 SMN1; SMN2 (0.56) OPRM1OPRD1OPRK1TAAR1HDAC6

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
CN-107108591-B Resorcinol derivatives as HSP90 inhibitors 正大天晴药业集团股份有限公司 2020-05-05 CN disclosed
US-10035792-B2 Resorcinol derivative as HSP90 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-31 US disclosed
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-11 US disclosed
EP-3248968-A1 RESORCINOL DERIVATIVE AS HSP90 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2017-11-29 EP disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO 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-10035792-B2 Resorcinol derivative as HSP90 inhibitor HSP90AB1, HSP90AA1, HSP90AB2P OPRM1 4560/4885OPRD1 4268/4885OPRK1 4029/4885
US-20180009794-A1 Resorcinol Derivative As HSP90 Inhibitor HSP90AB1, HSP90AA1, HSP90AB2P OPRM1 4560/4885OPRD1 4268/4885OPRK1 4029/4885

“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.