SCHEMBL1311841

SCHEMBL1311841

COC(=O)/C=C/C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL1036789 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2SLC6A1SLC6A11
Hydrochloric Acid SCHEMBL1036786 0.98 HCAR2 (0.38) HCAR2KEAP1NFE2L2SLC6A1SLC6A11
Hydrochloric Acid SCHEMBL1036788 0.98 HCAR2 (0.38) HCAR2KEAP1NFE2L2SLC6A1SLC6A11
SCHEMBL24238732 0.90 HCAR2 (0.41) HCAR2KEAP1NFE2L2SLC6A1SLC6A11
SCHEMBL31140651 0.90 HCAR2 (0.41) HCAR2KEAP1NFE2L2SLC6A1SLC6A11
SCHEMBL17996622 0.83 HCAR2 (0.40) HCAR2SLC6A1SLC6A11TSHRLMNA
SCHEMBL21295497 0.83 HCAR2 (0.40) HCAR2SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL23582559 0.81 HCAR2 (0.39) HCAR2SLC6A1SLC6A11TSHRLMNA
SCHEMBL38251 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2KDM4EMAPT
SCHEMBL26696282 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2KDM4EMAPT

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 4 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-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
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 HCAR2 33/4885KEAP1 902/4885NFE2L2 1479/4885

“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.