SCHEMBL4871718

SCHEMBL4871718

CCN(CC)S(=O)(=O)c1cc(-c2n[nH]cc2Oc2ccccc2Cl)c(O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4876067 0.88 ALDH1A1 (0.43) MAPTSMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL4880243 0.81 GAA (0.39) HSP90AA1KMT2ACYP1A2CYP2C19
SCHEMBL4882855 0.79 THRB (0.41) MAPTNPC1
SCHEMBL4883423 0.78 LMNA (0.42) MAPTSMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL4881235 0.78 ALDH1A1 (0.41) MAPTHSP90AA1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4876500 0.78 MAPT (0.49) MAPTTP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL4881914 0.77 KMT2A (0.34) MAPTTP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL4881336 0.77 ALDH1A1 (0.40) MAPTALDH1A1LMNA
SCHEMBL4883703 0.77 PTGS1 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL4880023 0.76 ACLY (0.45) MAPTSMN1; SMN2ALDH1A1KDM4E

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-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US claimed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO claimed
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P MAPT 2220/4885TP53 570/4885HSP90AA1 2/4885

“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.