SCHEMBL615683

SCHEMBL615683

CCOC(=O)CSc1nc2ccc(N)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
ALDH1A1 P00352 5/20 1.00
HPGD P15428 2/20 1.00
SHMT2 P34897 1/20 1.00
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
LMNA P02545 2/20 0.78
TP53 P04637 5/20 0.62
POLB P06746 2/20 0.62
THRB P10828 2/20 0.62
RXFP1 Q9HBX9 1/20 0.60
BACE1 P56817 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.54
KEAP1 Q14145 1/20 0.53

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
SCHEMBL9220907 0.82 ALDH1A1 (0.70) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL27835642 0.82 MAPT (0.72) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL9218073 0.79 MAPT (0.65) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL617400 0.79 KEAP1 (0.69) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL20764179 0.78 MAPT (0.64) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL10756678 0.78 MAPT (0.78) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL9215562 0.77 MAPT (0.62) MAPTALDH1A1HPGDSHMT2LMNA
SCHEMBL9213780 0.77 MAPT (0.62) MAPTALDH1A1HPGDSHMT2LMNA
SCHEMBL1416024 0.76 MEN1 (0.65) MAPTALDH1A1HPGDSHMT2MEN1
SCHEMBL2017456 0.75 MAPT (0.75) MAPTALDH1A1HPGDSHMT2MEN1

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
WO-2016085990-A1 COMPOSITIONS AND METHODS RELATING TO INHIBITING SERINE HYRDOXYMETHYLTRANSFERASE 2 ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-06-02 WO disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (3 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-20110009448-A1 Compound NR4A1, GPR6, PRMT6 MAPT 4794/4885ALDH1A1 1319/4885HPGD 2152/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 MAPT 4794/4885ALDH1A1 1319/4885HPGD 2152/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 MAPT 4691/4885ALDH1A1 553/4885HPGD 2337/4885

“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.