SCHEMBL2884267

SCHEMBL2884267

O=S(=O)(Cc1ccccc1)NC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
GBA1 P04062 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NSD2 O96028 1/20 0.43
KMT2A Q03164 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
SOS1 Q07889 1/20 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
SCHEMBL13177274 0.91 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL4171714 0.88 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL5219605 0.85 KDM1A (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL16846208 0.84 KMT2A (0.42) ITGB3ITGA2BDRD2ADRA1DADRA1A
SCHEMBL16826062 0.84 MAPK1 (0.42) ITGB3ITGA2BDRD2ADRA1DADRA1A
SCHEMBL27483028 0.83 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL989727 0.83 HSP90AA1 (0.50) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL16825675 0.83 KMT2A (0.41) ITGB3ITGA2BKMT2A
SCHEMBL16825640 0.83 SLC6A2 (0.43) MAOB
SCHEMBL10153507 0.81 F2 (0.48) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
US-6548525-B2 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 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 (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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 CA1 862/4885CA2 1373/4885MMP1 367/4885
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R CA1 1762/4885CA2 2864/4885MMP1 3313/4885

“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.