SCHEMBL23701467

SCHEMBL23701467

CCOc1ccc(N2CC3CN(C(=O)NC4CCS(O)(O)CC4)CC3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
ACACB O00763 11/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL23701381 0.93 MAPT (0.43) MAPTGFERSMN1; SMN2POLBACACB
SCHEMBL23701382 0.93 MAPT (0.43) MAPTGFERSMN1; SMN2POLBACACB
SCHEMBL23701453 0.88 ACACB (0.47) MAPTGFERSMN1; SMN2POLBACACB
SCHEMBL23701451 0.88 ACACB (0.47) MAPTGFERSMN1; SMN2POLBACACB
SCHEMBL23701363 0.83 ACACB (0.53) ACACBALDH1A1KMT2A
SCHEMBL23701362 0.83 ACACB (0.53) ACACBALDH1A1KMT2A
SCHEMBL23701469 0.80 KMT2A (0.43) MAPTACACBALDH1A1TP53KMT2A
SCHEMBL27400138 0.78 KMT2A (0.46) ACACBKMT2A
SCHEMBL23701430 0.77 ACACB (0.46) ACACBKMT2A
SCHEMBL23701429 0.77 ACACB (0.46) ACACBKMT2A

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-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 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-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 MAPT 4829/4885GFER 783/4885SMN1; SMN2 3383/4885

“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.