SCHEMBL24769826

SCHEMBL24769826

CCC(CC)(CCC(=O)O)c1csc(Nc2cccc(OC)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 5/20 0.50
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 8/20 0.49
NPC1 O15118 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
CLK1 P49759 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL29963677 1.00 ALDH1A1 (0.52) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24769825 0.92 MEN1 (0.49) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL29963795 0.92 MEN1 (0.49) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24769832 0.82 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL38665488 0.80 GAA (0.70) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24769834 0.77 GAA (0.56) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL30956258 0.76 KMT2A (0.58) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL29274274 0.76 KMT2A (0.58) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24768598 0.75 NPC1 (0.56) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL38664878 0.74 GAA (0.59) ALDH1A1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR ALDH1A1 875/4885GAA 1226/4885MEN1 2837/4885

“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.