SCHEMBL2748764

SCHEMBL2748764

COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1-c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
PARP14 Q460N5 1/20 0.54
SLC10A6 Q3KNW5 1/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CCR9 P51686 1/20 0.40
RPS6KB1 P23443 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL2748800 0.90 KCNH2 (0.48) KCNH2PARP14SLC10A6KDM4EMEN1
SCHEMBL2749038 0.89 KCNH2 (0.56) KCNH2PARP14SLC10A6KDM4EGAA
SCHEMBL2748278 0.89 KCNH2 (0.52) KCNH2PARP14SLC10A6KDM4EMEN1
SCHEMBL2748472 0.83 KCNH2 (0.54) KCNH2PARP14SLC10A6PKMKDM4E
SCHEMBL2749565 0.83 KCNH2 (0.77) KCNH2PARP14SLC10A6PKMKDM4E
SCHEMBL2748487 0.83 KCNH2 (0.53) KCNH2PARP14SLC10A6GAALMNA
SCHEMBL2748612 0.83 KCNH2 (0.53) KCNH2PARP14SLC10A6KDM4EGAA
SCHEMBL2748820 0.82 KCNH2 (0.53) KCNH2PARP14SLC10A6MEN1KMT2A
SCHEMBL2747327 0.81 KCNH2 (0.63) KCNH2PARP14SLC10A6KDM4EGAA
SCHEMBL2748298 0.80 ACLY (0.48) KCNH2PARP14SLC10A6KDM4EMEN1

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 KCNH2 4765/4885PARP14 2997/4885SLC10A6 2747/4885

“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.