SCHEMBL1199599

SCHEMBL1199599

Cc1cc(C)c(N2CCOCC2)c(C)c1NC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CA P42336 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
EDNRA P25101 1/20 0.39
DPP4 P27487 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
SCHEMBL1199774 0.94 HTT (0.46) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1199925 0.93 ALDH1A1 (0.44) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1199254 0.93 HTT (0.45) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL3972658 0.92 ALDH1A1 (0.42) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1198808 0.92 LMNA (0.49) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1199398 0.92 LMNA (0.44) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL1198924 0.92 TP53 (0.44) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL3972606 0.91 MAPK1 (0.42) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1199418 0.91 LMNA (0.49) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL1199854 0.91 LMNA (0.43) HTTLMNAMEN1KMT2AMAPK1

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-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
US-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor ANDERSON ERIC C 2011-02-03 US disclosed
WO-2009044311-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS MODULATORS OF CCR9 RECEPTOR ENCYSIVE PHARMACEUTICALS INC. (US) 2009-04-09 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-20110028469-A1 Thiphene-2-Carboxamide Derivatives As Modulators of CCR9 Receptor CCR9, CCR1, CCR10 HTT 3449/4885LMNA 4182/4885ALDH1A1 1264/4885

“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.