SCHEMBL2748673

SCHEMBL2748673

COC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccccc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SLC10A6 Q3KNW5 1/20 0.50
TP53 P04637 1/20 0.50
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
ACLY P53396 2/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL2748413 0.89 ACLY (0.54) HPGDTSHRALDH1A1ACLYNPSR1
SCHEMBL2748496 0.89 HPGD (0.59) HPGDLMNATSHRSLC10A6TP53
SCHEMBL2749317 0.88 LMNA (0.62) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL2749453 0.88 LMNA (0.55) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL2748474 0.87 LMNA (0.54) HPGDLMNATSHRSLC10A6TP53
SCHEMBL2750722 0.85 HPGD (0.59) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL2749201 0.83 LMNA (0.50) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL532885 0.81 LMNA (0.78) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL1198764 0.80 KCNH2 (0.67) HPGDLMNATSHRSLC10A6KCNH2
SCHEMBL2747338 0.80 LMNA (0.64) HPGDLMNATSHRSLC10A6KCNH2

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 9 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
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 HPGD 2415/4885LMNA 3295/4885TSHR 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.