SCHEMBL1808012

SCHEMBL1808012

CCOc1cccc(SC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
LMNA P02545 2/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
NPY2R P49146 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1809121 0.86 GPR119 (0.50) DDB1CRBNKMT2AKDM4EALDH1A1
SCHEMBL1808394 0.81 MGLL (0.48) KMT2AFAAHNOTUM
SCHEMBL21623786 0.79 KMT2A (0.58) DDB1CRBNKMT2AALDH1A1SMN1; SMN2
SCHEMBL3125608 0.77 CARM1 (0.49) KMT2AALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL6180649 0.75 RAB9A (0.46) KMT2AKDM4ETDP1RAB9ALMNA
SCHEMBL1809004 0.75 KAT6A (0.44) KMT2AKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3531220 0.75 HPGD (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL14231357 0.74 KMT2A (0.41) DDB1CRBNKMT2AKDM4EALDH1A1
SCHEMBL4773434 0.74 PPARA (0.57) KMT2AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL1498324 0.73 MGLL (0.46) KMT2AHPGDLMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B DDB1 4098/4885CRBN 3902/4885KMT2A 1032/4885

“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.