SCHEMBL1036770

SCHEMBL1036770

O=S(=O)(Cl)c1ccnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.55
AXL P30530 1/20 0.55
IKBKB O14920 7/20 0.48
CHUK O15111 6/20 0.48
NUDT1 P36639 4/20 0.45
IGF1R P08069 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
JAK2 O60674 2/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL28028675 0.82 IKBKB (0.52) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL1075569 0.82 IKBKB (0.59) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL12605441 0.79 TNNI3K (0.53) PRKCIAXLIKBKBCHUKIGF1R
SCHEMBL5137242 0.77 MET (0.64) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL28111978 0.74 IKBKB (0.48) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL2240671 0.74 AURKB (0.71) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL15064398 0.74 MET (0.65) AXLDAPK3MAP4K4PRKACACDK8
SCHEMBL29385908 0.74 MET (0.65) AXLDAPK3MAP4K4PRKACACDK8
SCHEMBL100651 0.71 PRKCI (1.00) PRKCIAXLIKBKBCHUKNUDT1
SCHEMBL29431037 0.71 PRKCI (1.00) PRKCIAXLIKBKBCHUKNUDT1

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
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 PRKCI 4565/4885AXL 4219/4885IKBKB 1045/4885

“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.