SCHEMBL2748690

SCHEMBL2748690

COC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1C(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.77
PARP14 Q460N5 1/20 0.57
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
SLC10A6 Q3KNW5 1/20 0.53
ALDH1A1 P00352 6/20 0.50
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
PPARG P37231 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
SCHEMBL1199270 0.87 KCNH2 (1.00) KCNH2PARP14LMNATSHRHPGD
SCHEMBL1200364 0.86 KCNH2 (0.80) KCNH2PARP14LMNATSHRHPGD
SCHEMBL1200140 0.85 KCNH2 (0.79) KCNH2PARP14LMNATSHRHPGD
SCHEMBL2749565 0.82 KCNH2 (0.77) KCNH2PARP14LMNATSHRHPGD
SCHEMBL2747534 0.80 KCNH2 (0.70) KCNH2PARP14LMNATSHRHPGD
SCHEMBL1199098 0.79 LMNA (0.78) KCNH2PARP14LMNATSHRHPGD
SCHEMBL1199591 0.79 KCNH2 (0.80) KCNH2PARP14LMNATSHRHPGD
SCHEMBL2747327 0.79 KCNH2 (0.63) KCNH2PARP14LMNATSHRHPGD
SCHEMBL2748764 0.79 KCNH2 (0.62) KCNH2PARP14LMNATSHRHPGD
SCHEMBL1200118 0.78 KCNH2 (0.79) KCNH2PARP14LMNATSHRHPGD

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 KCNH2 4765/4885PARP14 2997/4885LMNA 3295/4885

“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.