SCHEMBL24769834

SCHEMBL24769834

CCC(CC)(CCC(=O)O)c1csc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 1/20 0.43
DHODH Q02127 1/20 0.42
NPY5R Q15761 1/20 0.42
CFTR P13569 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CCR4 P51679 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM1A O60341 3/20 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
SCHEMBL38665488 0.88 GAA (0.70) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL5439494 0.78 CCR4 (0.51) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL29963677 0.77 ALDH1A1 (0.52) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL24769826 0.77 ALDH1A1 (0.52) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL5442823 0.77 MAPT (0.50) GAAKDM4EALDH1A1MAPTALOX5
SCHEMBL38664878 0.77 GAA (0.59) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL24768598 0.76 NPC1 (0.56) GAAKDM4EALDH1A1MAPTNPSR1
SCHEMBL29274266 0.75 ALOX5 (0.59) GAAKDM4EMAPTALOX5NPY5R
SCHEMBL525630 0.75 CFTR (0.54) GAAKDM4EMAPTALOX5NPY5R
SCHEMBL26981884 0.75 GAA (0.48) GAAKDM4EALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630515-B2 Small molecule prostagladin transport inhibitors ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2026-05-19 US disclosed
US-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 US disclosed
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 (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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR GAA 1226/4885KDM4E 4081/4885ALDH1A1 875/4885
US-12630515-B2 Small molecule prostagladin transport inhibitors PTGER1, PTGS1, PTGIR GAA 2911/4885KDM4E 4133/4885ALDH1A1 1715/4885

“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.