SCHEMBL2535633

SCHEMBL2535633

[CH2]c1cccc(S(=O)(=O)CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GBA1 P04062 1/20 0.38
KIF18A Q8NI77 1/20 0.37
CACNA1B Q00975 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 4/20 0.34
PSIP1 O75475 1/20 0.34
FBP1 P09467 1/20 0.34
GLP1R P43220 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL2536571 0.80 MAOA (0.40) CRBNALDH1A1MAPTGAAGBA1
SCHEMBL19692897 0.79 HTR6 (0.43) CRBNALDH1A1MAPTGAAKIF18A
SCHEMBL29650200 0.79 HTR6 (0.43) CRBNALDH1A1MAPTGAAKIF18A
SCHEMBL522247 0.79 MBTD1 (0.44) CRBNALDH1A1MAPTGAAGBA1
SCHEMBL28229855 0.79 ALDH1A1 (0.56) CRBNALDH1A1MAPTGAAGBA1
SCHEMBL19277085 0.77 MMP2 (0.40) CRBNALDH1A1MAPTGAAGBA1
SCHEMBL2536096 0.76 PSIP1 (0.56) ALDH1A1GAASMN1; SMN2PSIP1
SCHEMBL29650254 0.76 HSD11B1 (0.49) ALDH1A1MAPT
SCHEMBL5416488 0.76 AKR1C3 (0.51) ALDH1A1MAPT
SCHEMBL19692844 0.76 HSD11B1 (0.49) ALDH1A1MAPT

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
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CRBN 2486/4885ALDH1A1 3756/4885MAPT 3841/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CRBN 2347/4885ALDH1A1 2837/4885MAPT 4280/4885

“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.