SCHEMBL395741

SCHEMBL395741

CC[C@@H](C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ncc[nH]3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.44
GFER P55789 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 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
SCHEMBL395742 1.00 PTGES (0.48) PTGESCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL397343 0.92 ALDH1A1 (0.51) PTGESCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL435164 0.85 ALDH1A1 (0.50) PTGESALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3596142 0.83 ALDH1A1 (0.54) PTGESALDH1A1KDM4EHSD17B10LMNA
SCHEMBL1169912 0.78 ALDH1A1 (0.51) PTGESALDH1A1KDM4EHSD17B10LMNA
SCHEMBL1170426 0.75 KMT2A (0.45) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1170425 0.75 KMT2A (0.45) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL393916 0.73 KMT2A (0.49) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL393917 0.73 KMT2A (0.49) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL12867415 0.73 KMT2A (0.49) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES CYTOKINETICS, INC. 2012-04-12 US disclosed
US-8101620-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-01-24 US disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed
US-20110112154-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2011-05-12 US disclosed
US-7888373-B2 Heterocyclic sulfonamides as modulators of cardiac sarcomeres CYTOKINETICS, INC. (US) 2011-02-15 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 (2 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-20110112154-A1 Compounds, compositions and methods TNNI3, TNNT2, MYLK2 PTGES 3530/4885CYP3A4 4605/4885CYP2C9 4053/4885
US-20120088779-A1 HETEROCYCLIC SULFONAMIDES TNNI3, TNNT2, MYLK2 PTGES 3753/4885CYP3A4 4735/4885CYP2C9 4593/4885

“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.