SCHEMBL4394801

SCHEMBL4394801

CC(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 1/20 0.60
HTR2C P28335 1/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TSHR P16473 1/20 0.58
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.54
GAA P10253 2/20 0.54
SPR P35270 1/20 0.54
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50

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
SCHEMBL4765964 0.93 HTR2C (0.64) ALDH1A1HSD17B10HPGDHTR2CLMNA
SCHEMBL17117360 0.88 PKM (0.54) ALDH1A1LMNAPKMMAPK1GAA
SCHEMBL4384771 0.88 TP53 (0.59) ALDH1A1HSD17B10HTR2CLMNAPKM
SCHEMBL18701651 0.87 PKM (0.60) ALDH1A1HSD17B10HPGDHTR2CLMNA
SCHEMBL6160625 0.85 PKM (0.76) ALDH1A1HSD17B10HPGDHTR2CLMNA
SCHEMBL11478363 0.80 NOTUM (0.58) HPGDLMNAPKMMAPK1BRD4
SCHEMBL1074701 0.79 NOTUM (0.56) ALDH1A1HSD17B10HPGDLMNAPKM
SCHEMBL11739228 0.77 BAZ2B (0.58) ALDH1A1HSD17B10HPGDLMNAMAPK1
SCHEMBL3873564 0.77 SLC6A9 (0.62) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL6330427 0.76 ALDH1A1 (0.69) ALDH1A1LMNATSHRPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
EP-1144405-B1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY ABBOTT GMBH & CO KG (DE) 2009-11-25 EP disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885HSD17B10 248/4885HPGD 36/4885

“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.