SCHEMBL2750244

SCHEMBL2750244

COC(=O)c1sccc1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.78
HPGD P15428 2/20 0.78
TSHR P16473 2/20 0.78
SMN1; SMN2 Q16637 4/20 0.66
KMT2A Q03164 2/20 0.66
MAPT P10636 2/20 0.66
MEN1 O00255 1/20 0.66
SLC10A6 Q3KNW5 1/20 0.57
CASP3 P42574 1/20 0.56
ATM Q13315 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL1200313 0.88 HPGD (0.80) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL1199735 0.88 LMNA (1.00) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL1199804 0.86 HPGD (0.78) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL1199098 0.86 LMNA (0.78) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL532885 0.86 LMNA (0.78) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL1199332 0.85 LMNA (0.76) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL2747338 0.85 LMNA (0.64) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL2747434 0.85 ACLY (0.64) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL2747919 0.84 LMNA (0.74) LMNAHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL2748676 0.84 HPGD (0.74) LMNAHPGDTSHRSMN1; SMN2KMT2A

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 8 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-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
US-8178699-B2 Modulators of CCR9 receptor and methods of use thereof PFIZER INC. (US) 2012-05-15 US disclosed
EP-2220065-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-08-25 EP disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20100029753-A1 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3295/4885HPGD 2415/4885TSHR 957/4885

“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.