SCHEMBL1031345

SCHEMBL1031345

C=C1C[C@H](NC(=O)OC(C)(C)C)[C@H](C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
POLB P06746 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CCR1 P32246 1/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KDM1A O60341 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 1/20 0.37
PDK1 Q15118 1/20 0.36

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
SCHEMBL1031344 1.00 RAB9A (0.43) RAB9APOLBHTTNPSR1ALDH1A1
SCHEMBL1030180 0.77 POLB (0.51) RAB9APOLBHTTNPSR1ALDH1A1
SCHEMBL1030181 0.77 POLB (0.51) RAB9APOLBHTTNPSR1ALDH1A1
SCHEMBL1012695 0.76 BTK (0.47) NFKB1NFKB2RELAKMT2AKDM1A
SCHEMBL13678772 0.76 BTK (0.47) NFKB1NFKB2RELAKMT2AKDM1A
SCHEMBL1030494 0.76 BTK (0.47) NFKB1NFKB2RELAKMT2AKDM1A
SCHEMBL1027576 0.75 HTT (0.64) RAB9APOLBHTTNPSR1ALDH1A1
SCHEMBL1026891 0.75 HTT (0.64) RAB9APOLBHTTNPSR1ALDH1A1
SCHEMBL14239951 0.75 NFKB1 (0.40) NFKB1NFKB2RELACCR1KDM1A
SCHEMBL1030042 0.75 NFKB1 (0.40) NFKB1NFKB2RELACCR1KDM1A

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
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES BOEHRINGER MARKUS 2009-10-29 US disclosed
US-7501413-B2 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060106016-A1 Dicarboxamide derivatives HOFFMANN-LA ROCHE INC. 2006-05-18 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-20060106016-A1 Dicarboxamide derivatives F2, F12, TFPI RAB9A 2494/4885POLB 3769/4885HTT 4761/4885
US-20090270360-A1 DICARBOXAMIDE DERIVATIVES F2, F12, TFPI RAB9A 2494/4885POLB 3769/4885HTT 4761/4885

“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.