SCHEMBL4885629

SCHEMBL4885629

COc1cc(OC)c(S(=O)(=O)Cl)cc1-c1n[nH]cc1Oc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
NFE2L2 Q16236 3/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
PDGFRB P09619 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4883499 0.90 LMNA (0.37) PTGS2PTGS1NFE2L2KCNH2LMNA
SCHEMBL4884645 0.83 ALDH1A1 (0.46) PTGS2PTGS1LMNASMN1; SMN2
SCHEMBL4876502 0.78 CYP1A2 (0.41) LMNASLC6A2SLC6A4SLC6A3GAA
SCHEMBL4882813 0.76 ATM (0.41) LMNAGAATSHRSMN1; SMN2MEN1
SCHEMBL4882938 0.74 ALDH1A1 (0.50) LMNATSHRSMN1; SMN2
SCHEMBL4880243 0.72 GAA (0.39) GAAKMT2A
SCHEMBL4871718 0.72 MAPT (0.39) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4881235 0.70 ALDH1A1 (0.41) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4882855 0.70 THRB (0.41)
SCHEMBL4881508 0.70 KDM4E (0.44) LMNASMN1; SMN2HSD17B10MEN1KMT2A

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 5 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 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
CN-101035766-A 3-(2-hydroxyphenyl) pyrazoles and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2007-09-12 CN disclosed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 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 (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 TRPV4 3658/4885PTGS2 575/4885PTGS1 358/4885

“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.