SCHEMBL3983498

SCHEMBL3983498

CCn1cc(C(=O)O)c(=O)c2cc(SCCNC(=O)OC(C)(C)C)ccc21.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 7/20 0.51
HSD17B10 Q99714 5/20 0.51
TSHR P16473 3/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 8/20 0.46
HTT P42858 5/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
APEX1 P27695 1/20 0.44
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
MAPK1 P28482 1/20 0.41
DRD3 P35462 1/20 0.39
POLB P06746 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL3983514 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4396358 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3983501 0.90 LMNA (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3812384 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3816675 0.89 LMNA (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5471995 0.88 LMNA (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3293003 0.85 IDO1 (0.36) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3811662 0.84 LMNA (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3816207 0.84 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27634843 0.83 IDO1 (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR

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
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A ALDH1A1 2827/4885KDM4E 3840/4885HPGD 1267/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A ALDH1A1 2288/4885KDM4E 1543/4885HPGD 2689/4885

“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.