SCHEMBL13229757

SCHEMBL13229757

COC(=O)c1cc(C(=O)OC)cc(-c2ccsc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
POLB P06746 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
BLM P54132 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL13229756 0.95 PTGS1 (0.40) PTGS1POLBRXFP1HPGDSMN1; SMN2
SCHEMBL7823119 0.88 PLAU (0.44) PTGS1GABRA1GABRG2GABRB3GABRA5
SCHEMBL13484347 0.87 PTGS1 (0.57) PTGS1POLBRXFP1PGRKMT2A
SCHEMBL13229758 0.84 BACE1 (0.44) KMT2AMAPTALDH1A1NPC1LMNA
SCHEMBL8444038 0.78 PTGS1 (0.46) PTGS1POLBHPGDSMN1; SMN2KMT2A
SCHEMBL16509498 0.75 LCK (0.40) PTGS1POLBRXFP1HPGDSMN1; SMN2
SCHEMBL27383917 0.74 PTGS1 (0.46) PTGS1POLBSMN1; SMN2KMT2AL3MBTL1
SCHEMBL2347995 0.74 ESR2 (0.46) POLBSMN1; SMN2PGRL3MBTL1CA12
SCHEMBL17837166 0.73 POLB (0.49) POLBRXFP1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL9169122 0.73 CA12 (0.46) PTGS1POLBRXFP1PGRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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 (2 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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 PTGS1 1987/4885POLB 1159/4885RXFP1 1005/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 PTGS1 1987/4885POLB 1159/4885RXFP1 1005/4885

“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.