SCHEMBL4550967

SCHEMBL4550967

Cc1sccc1NS(=O)(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 8/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 4/20 0.53
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
MCL1 Q07820 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4550968 0.82 ALDH1A1 (0.52) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL2747302 0.81 ACLY (0.54) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL2747923 0.81 LMNA (0.65) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL5955438 0.77 MAPT (0.72) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL3655682 0.72 HSD17B2 (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL7124336 0.70 MAPT (0.75) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL6867994 0.69 AKR1C3 (0.71) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL16295598 0.68 POLB (0.52) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL13633887 0.68 TDP1 (0.65) MAPTUSP2ALDH1A1KMT2AMEN1
SCHEMBL2434918 0.68 MAPT (0.67) MAPTUSP2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 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-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 MAPT 4049/4885USP2 2636/4885ALDH1A1 1580/4885

“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.