SCHEMBL1209082

SCHEMBL1209082

N#Cc1c(NC(=O)C=Cc2ccoc2)sc2c1CCC(OC(=O)NCc1nccs1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
HTT P42858 2/20 0.40
PTPN5 P54829 1/20 0.40
ALDH1A1 P00352 11/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
NR0B1 P51843 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1210510 0.90 PTPN5 (0.44) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1210141 0.89 SMN1; SMN2 (0.40) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1209682 0.89 TGFBR1 (0.41) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1209200 0.88 ALDH1A1 (0.41) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1208124 0.88 TGFBR1 (0.42) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1209664 0.88 ALDH1A1 (0.55) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1207905 0.87 NOD1 (0.47) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1208910 0.87 PTPN5 (0.44) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1
SCHEMBL1208216 0.86 PTPN5 (0.48) TGFBR1SMN1; SMN2PTPN5ALDH1A1MAPT
SCHEMBL1210359 0.86 PTPN5 (0.40) TGFBR1SMN1; SMN2HTTPTPN5ALDH1A1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD TGFBR1 1167/4885SMN1; SMN2 2135/4885HTT 798/4885

“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.