SCHEMBL2962698

SCHEMBL2962698

COC(=O)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
STS P08842 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TCF4 P15884 2/20 0.49
CTNNB1 P35222 2/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49

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
SCHEMBL9451358 0.85 STS (0.71) POLBSMN1; SMN2TP53STSL3MBTL1
SCHEMBL7441195 0.83 SMN1; SMN2 (0.52) POLBSMN1; SMN2TP53STSL3MBTL1
SCHEMBL10296034 0.83 STS (0.53) SMN1; SMN2STSRAB9ANPC1CA12
SCHEMBL2964425 0.83 PPARG (0.61) STSALDH1A1KMT2A
SCHEMBL3626199 0.83 CA2 (0.51) POLBSMN1; SMN2STSL3MBTL1RAB9A
SCHEMBL1050436 0.83 POLB (0.50) POLBSMN1; SMN2TP53STSL3MBTL1
SCHEMBL2893033 0.82 CA1 (0.48) POLBSMN1; SMN2STSL3MBTL1RAB9A
SCHEMBL14526611 0.82 STS (0.53) POLBSMN1; SMN2STSRAB9ACA12
SCHEMBL30697344 0.82 STS (0.53) POLBSMN1; SMN2STSRAB9ACA12
SCHEMBL27571314 0.81 PARP1 (0.64) STSCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113316566-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-27 CN disclosed
US-10407376-B2 Method to prepare phenolics from biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2019-09-10 US disclosed
US-20170349529-A1 Method to Prepare Phenolics from Biomass NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2017-12-07 US disclosed
EP-3245186-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2017-11-22 EP disclosed
WO-2016114668-A1 METHOD TO PREPARE PHENOLICS FROM BIOMASS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2016-07-21 WO disclosed
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 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 (3 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-10407376-B2 Method to prepare phenolics from biomass FDPS, DNPH1, HPD POLB 1330/4885SMN1; SMN2 4838/4885TP53 2149/4885
US-20170349529-A1 Method to Prepare Phenolics from Biomass FDPS, DNPH1, HPD POLB 1330/4885SMN1; SMN2 4838/4885TP53 2149/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 POLB 4752/4885SMN1; SMN2 2088/4885TP53 2995/4885

“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.