SCHEMBL6882733

SCHEMBL6882733

COc1cccc(SC2CCN(S(=O)(=O)c3ccc(C)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 4/20 0.48
MAPT P10636 4/20 0.46
RYR2 Q92736 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6882737 1.00 KMT2A (0.48) KMT2AMEN1USP2PKMMAPT
SCHEMBL10795181 0.80 ALDH1A1 (0.50) KMT2AMEN1USP2PKMMAPT
SCHEMBL10794407 0.79 LMNA (0.48) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL6874115 0.79 ALDH1A1 (0.46) KMT2AMEN1USP2PKMALDH1A1
SCHEMBL6874113 0.79 ALDH1A1 (0.46) KMT2AMEN1USP2PKMALDH1A1
SCHEMBL10797955 0.78 GAA (0.56) KMT2AMEN1USP2PKMALDH1A1
SCHEMBL10795141 0.77 LMNA (0.48) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL10857981 0.77 LMNA (0.50) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL10794650 0.77 PKM (0.52) KMT2AMEN1USP2PKMALDH1A1
SCHEMBL10800331 0.77 ALDH1A1 (0.55) KMT2AMEN1USP2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B KMT2A 303/4885MEN1 1877/4885USP2 3662/4885

“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.