SCHEMBL3615482

SCHEMBL3615482

COc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MMP1 P03956 1/20 0.52
MMP7 P09237 1/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
TAS2R14 Q9NYV8 3/20 0.51
MEP1B Q16820 1/20 0.51
PKM P14618 1/20 0.50
KEAP1 Q14145 1/20 0.50
PTGES O14684 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.48
CXCR3 P49682 1/20 0.48

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
SCHEMBL4936946 0.83 SMN1; SMN2 (0.77) BMP1SMN1; SMN2LMNAHTTNPC1
SCHEMBL17230532 0.83 BMP1 (0.55) BMP1SMN1; SMN2LMNAHTTNPC1
SCHEMBL1106906 0.82 CNR2 (0.54) BMP1SMN1; SMN2LMNAHTTNPC1
SCHEMBL13979922 0.81 CNR2 (0.61) BMP1SMN1; SMN2LMNAHTTNPC1
SCHEMBL4204765 0.80 LMNA (0.76) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL398044 0.80 CNR2 (0.57) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL9190749 0.80 PKM (0.43) BMP1MMP1MMP7MMP8MMP12
SCHEMBL10385428 0.79 BMP1 (0.51) BMP1SMN1; SMN2LMNAHTTNPC1
SCHEMBL14229338 0.79 TAS2R14 (0.62) BMP1SMN1; SMN2LMNAHTTNPC1
Hydrochloric Acid SCHEMBL29285860 0.79 LMNA (0.73) SMN1; SMN2LMNAHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO claimed
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP disclosed
WO-2012101648-A1 NOVEL PROCESS FOR THE SYNTHESIS OF ENANTIOMERICALLY PURE 2-METHOXY-5-[(2R)-2-(4-ALKYLPIPERAZIN-L-YL)PROPYL]-BENZENESULFONAMIDE HAVALDAR FREDDY H 2012-08-02 WO disclosed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US disclosed
EP-2167479-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2010-03-31 EP disclosed
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2009-11-12 US disclosed
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO disclosed
WO-2008152650-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2008-12-18 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-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES CYP3A5, TPH1, CYP51A1 BMP1 4797/4885SMN1; SMN2 4443/4885LMNA 3947/4885

“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.