SCHEMBL4801228

SCHEMBL4801228

CCOC(=O)C1CCCc2sc(NC(=O)C(C)c3ccccc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
GLS O94925 3/20 0.40
LMNA P02545 2/20 0.40
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB3 P13945 1/20 0.38
ACP1 P24666 1/20 0.38
CSNK1D P48730 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3157695 0.87 XIAP (0.49) XIAPMEN1KMT2AALDH1A1POLB
SCHEMBL4804382 0.87 XIAP (0.45) XIAPMEN1KMT2AALDH1A1POLB
SCHEMBL5767301 0.85 MEN1 (0.41) XIAPMEN1KMT2AGAASMN1; SMN2
Formic Acid SCHEMBL4804385 0.83 XIAP (0.47) XIAPMEN1KMT2AALDH1A1POLB
SCHEMBL3172004 0.81 XIAP (0.43) XIAPMEN1KMT2AALDH1A1POLB
SCHEMBL4803743 0.80 XIAP (0.46) XIAPMEN1KMT2AALDH1A1POLB
SCHEMBL3162800 0.79 XIAP (0.45) XIAPALDH1A1POLBGLSADRB3
SCHEMBL13314787 0.78 PARP1 (0.44) XIAPMEN1KMT2AGAASMN1; SMN2
SCHEMBL3539844 0.78 PARP1 (0.44) XIAPMEN1KMT2AGAASMN1; SMN2
SCHEMBL13452506 0.78 XIAP (0.49) XIAPGLSADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 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 (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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 XIAP 3750/4885MEN1 4797/4885KMT2A 1507/4885

“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.