SCHEMBL2750722

SCHEMBL2750722

COC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2cc(C)cc(C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
KCNH2 Q12809 1/20 0.51
PKM P14618 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
SLC10A6 Q3KNW5 1/20 0.49
ACLY P53396 1/20 0.46
ATM Q13315 1/20 0.46
MCL1 Q07820 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PARP14 Q460N5 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
SCHEMBL2749317 0.90 LMNA (0.62) HPGDLMNATSHRKCNH2MEN1
SCHEMBL2747565 0.89 ACLY (0.56) HPGDLMNATSHRACLYMCL1
SCHEMBL2748496 0.87 HPGD (0.59) HPGDLMNATSHRKCNH2PKM
SCHEMBL2748673 0.85 HPGD (0.57) HPGDLMNATSHRKCNH2PKM
SCHEMBL1198764 0.81 KCNH2 (0.67) HPGDLMNATSHRKCNH2PKM
SCHEMBL2747338 0.81 LMNA (0.64) HPGDLMNATSHRKCNH2PKM
SCHEMBL2749453 0.81 LMNA (0.55) HPGDLMNATSHRKCNH2PKM
SCHEMBL532885 0.81 LMNA (0.78) HPGDLMNATSHRKCNH2MEN1
SCHEMBL4572271 0.81 TSHR (0.62) HPGDLMNATSHRKCNH2PKM
SCHEMBL2748474 0.80 LMNA (0.54) HPGDLMNATSHRKCNH2PKM

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 4 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
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
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.