SCHEMBL3913682

SCHEMBL3913682

CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 5/20 0.48
ALDH1A1 P00352 5/20 0.48
ENPP2 Q13822 2/20 0.45
PTGS2 P35354 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
MDM2 Q00987 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SOS1 Q07889 1/20 0.42
PTGS1 P23219 2/20 0.42

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
SCHEMBL11547843 0.89 HTT (0.58) HTTSMN1; SMN2LMNAALDH1A1ENPP2
SCHEMBL433497 0.89 HTT (0.58) HTTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL9720036 0.89 HTT (0.58) HTTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL230747 0.87 ENPP2 (0.56) ALDH1A1ENPP2PTGS2HSD17B10TDP1
SCHEMBL924893 0.83 PKM (0.59) HTTSMN1; SMN2LMNAALDH1A1PTGS2
SCHEMBL3109128 0.83 HTT (0.61) HTTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL7363201 0.83 PTGS2 (0.56) HTTSMN1; SMN2LMNAALDH1A1PTGS2
SCHEMBL8941654 0.83 PTGS2 (0.56) HTTSMN1; SMN2LMNAALDH1A1ENPP2
SCHEMBL7512941 0.82 PTGS2 (0.55) HTTSMN1; SMN2LMNAALDH1A1ENPP2
SCHEMBL2758531 0.81 HTT (0.63) HTTSMN1; SMN2LMNAALDH1A1PTGS2

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
US-8450427-B2 Living radical polymerization of activated and nonactivated monomers containing electron-withdrawing side groups THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-05-28 US disclosed
US-20100331493-A1 LIVING RADICAL POLYPMERIZATION OF ACTIVATED AND NONACTIVATED MONOMERS CONTAINING ELECTRON-WITHDRAWING SIDE GROUPS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-30 US disclosed
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
US-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-30 US disclosed
US-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-12-22 US disclosed
EP-1466899-A1 HYDROXAMIC ACID DERIVATIVE AND MMP INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed
US-4505929-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1985-03-19 US disclosed
US-4349568-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1982-09-14 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 (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-20070203118-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS MMP9, MMP2, MMP3 HTT 1803/4885SMN1; SMN2 3801/4885LMNA 601/4885
US-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient MMP13, MMP3, MMP2 HTT 1514/4885SMN1; SMN2 4577/4885LMNA 2272/4885

“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.