SCHEMBL4884645

SCHEMBL4884645

COc1cc(OC)c(S(=O)(=O)Nc2ccncc2)cc1-c1n[nH]cc1Oc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.46
ALPL P05186 8/20 0.45
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4883703 0.85 PTGS1 (0.39) ALDH1A1POLBSMN1; SMN2RECQLPTGS1
SCHEMBL4885629 0.83 TRPV4 (0.39) SMN1; SMN2PTGS1PTGS2LMNA
SCHEMBL4883499 0.82 LMNA (0.37) ALDH1A1PTGS1PTGS2LMNA
SCHEMBL4882855 0.78 THRB (0.41) NPC1
SCHEMBL4881336 0.76 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL4879852 0.75 ALPL (0.46) ALDH1A1ALPLNPC1LMNA
SCHEMBL1628577 0.73 RECQL (0.47) ALDH1A1POLBSMN1; SMN2RECQLALPL
SCHEMBL4881508 0.73 KDM4E (0.44) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4880103 0.72 PFKFB3 (0.40) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4876502 0.71 CYP1A2 (0.41) ALDH1A1SMN1; SMN2ALPLNPC1LMNA

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 ALDH1A1 1963/4885POLB 3543/4885SMN1; SMN2 3610/4885

“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.