SCHEMBL27101293

SCHEMBL27101293

O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
TSHR P16473 1/20 0.65
LMNA P02545 2/20 0.63
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPK1 P28482 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
HTR6 P50406 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 5/20 0.54
PKM P14618 3/20 0.54
ABCB1 P08183 1/20 0.54
KEAP1 Q14145 2/20 0.53
IL1RN P18510 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CXCR4 P61073 1/20 0.52
USP2 O75604 2/20 0.52

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
SCHEMBL22778806 0.85 PGR (0.63) GAATSHRLMNAKMT2AMAPT
SCHEMBL22778819 0.83 KDM4E (0.51) GAATSHRSMN1; SMN2ALDH1A1USP2
SCHEMBL15853667 0.82 ABCB1 (0.56) GAATSHRLMNAMEN1KMT2A
SCHEMBL9625113 0.79 JAK2 (0.63) GAALMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14025545 0.79 ALDH1A1 (0.67) TSHRLMNASMN1; SMN2ALDH1A1KEAP1
SCHEMBL22778820 0.78 LMNA (0.55) TSHRLMNAMEN1KMT2ANPC1
Methane SCHEMBL10645558 0.78 HRH3 (0.56) SMN1; SMN2ALDH1A1L3MBTL1HRH3HDAC1
SCHEMBL2228965 0.77 HRH3 (0.57) GAAKMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14025542 0.77 ALDH1A1 (0.68) LMNASMN1; SMN2ALDH1A1KEAP1L3MBTL1
SCHEMBL29642975 0.77 HRH3 (0.64) GAANPC1RAB9ASMN1; SMN2ALDH1A1

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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885TSHR 3992/4885LMNA 842/4885

“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.