SCHEMBL1199928

SCHEMBL1199928

COc1ccc(S(=O)(=O)Nc2ccsc2C(=O)Nc2c(C)cc(C)c(N3CCOCC3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
LMNA P02545 6/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1199925 0.92 ALDH1A1 (0.44) MAPK1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3975167 0.92 LMNA (0.53) MAPK1LMNATSHRHPGDALDH1A1
SCHEMBL1199712 0.91 MAPK1 (0.43) MAPK1LMNATSHRHPGDALDH1A1
SCHEMBL1198924 0.91 TP53 (0.44) MAPK1LMNAHPGDALDH1A1MAPT
SCHEMBL1199599 0.91 HTT (0.47) MAPK1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3972606 0.91 MAPK1 (0.42) MAPK1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1199715 0.89 TP53 (0.46) MAPK1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1198841 0.89 THRB (0.46) MAPK1LMNATSHRHPGDALDH1A1
SCHEMBL1199418 0.89 LMNA (0.49) MAPK1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1198808 0.88 LMNA (0.49) MAPK1LMNATSHRALDH1A1SMN1; SMN2

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 MAPK1 2676/4885LMNA 4182/4885TSHR 518/4885

“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.