SCHEMBL13061972

SCHEMBL13061972

CCC(=O)CCC(=O)c1cccs1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
ALDH1A1 P00352 4/20 0.75
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
POLB P06746 1/20 0.75
CTNNB1 P35222 5/20 0.59
WNT3A P56704 4/20 0.59
HPGD P15428 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GSK3B P49841 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC1 Q13547 1/20 0.51
ERCC5 P28715 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
SCHEMBL2216212 0.87 ALDH1A1 (1.00) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL6419377 0.84 ERCC5 (0.61) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL3177576 0.83 LMNA (0.77) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL1232758 0.83
SCHEMBL18755474 0.81 ALDH1A1 (0.81) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL13062106 0.80 NPC1 (0.47) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL3176357 0.80 LMNA (0.71) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL759462 0.79 ALDH1A1 (0.84) LMNAALDH1A1NPC1RAB9AMEN1
Methylamine SCHEMBL29014474 0.79 ALDH1A1 (0.64) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL22721189 0.79 ALDH1A1 (0.83) LMNAALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 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-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB LMNA 1592/4885ALDH1A1 430/4885NPC1 2957/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB LMNA 1592/4885ALDH1A1 430/4885NPC1 2957/4885

“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.