SCHEMBL1608336

SCHEMBL1608336

COc1cc2sc(C(=O)N3CC(C)OC(C)C3)c(Cl)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
STING1 Q86WV6 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1609107 0.84 TSHR (0.46) SMN1; SMN2KMT2AMEN1NPSR1TSHR
SCHEMBL1608941 0.81 HPGD (0.58) STING1KMT2AMEN1POLBNPSR1
SCHEMBL1609311 0.80 STING1 (0.51) SMN1; SMN2STING1KMT2AMEN1NPSR1
SCHEMBL3397115 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1POLBNPSR1
SCHEMBL1609773 0.73 STING1 (0.65) SMN1; SMN2STING1KMT2AMEN1NPSR1
SCHEMBL5224932 0.73 STING1 (0.69) SMN1; SMN2STING1NPSR1L3MBTL1TSHR
SCHEMBL1608247 0.73 HPGD (0.55) STING1KMT2APOLBNPSR1L3MBTL1
SCHEMBL11151272 0.72 RXFP1 (0.68) SMN1; SMN2STING1NPSR1L3MBTL1TSHR
SCHEMBL1609028 0.72 STING1 (0.63) SMN1; SMN2STING1KMT2AMEN1NPSR1
SCHEMBL1608921 0.68 COMT (0.59) SMN1; SMN2KMT2AMEN1TSHRALDH1A1

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
CN-101282957-B New pharmaceutical compounds ORION CORP 2013-07-10 CN disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 SMN1; SMN2 1281/4885STING1 4828/4885KMT2A 2938/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 SMN1; SMN2 2315/4885STING1 4840/4885KMT2A 1989/4885

“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.