SCHEMBL5863809

SCHEMBL5863809

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(CCCN(C)CCc3ccccn3)cc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAF1 P04049 3/20 0.41
MAP2K1 Q02750 3/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
AGTR1 P30556 1/20 0.38
GNRHR P30968 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5863342 0.81 KEAP1 (0.41) L3MBTL1
SCHEMBL5863628 0.76 KEAP1 (0.38) NPSR1L3MBTL1ALDH1A1
SCHEMBL5863989 0.76 PTGES (0.49)
SCHEMBL5864104 0.76 OPRM1 (0.41) KDM4EALDH1A1
SCHEMBL5864001 0.75 PTPN1 (0.41) NPSR1ALDH1A1
SCHEMBL5863804 0.75 HRH1 (0.41) KDM4EALDH1A1
SCHEMBL5864114 0.75 RAPGEF4 (0.41) NPSR1MAPTL3MBTL1ALDH1A1
SCHEMBL5864179 0.73 SIGMAR1 (0.42) KDM4EALDH1A1POLB
SCHEMBL5863878 0.73 OPRM1 (0.39) KDM4EALDH1A1
SCHEMBL5863694 0.73 GRIN2B (0.40) MAPTL3MBTL1KDM4EALDH1A1TSHR

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 CYP2D6 1375/4885CYP2C9 1510/4885CYP2C19 661/4885

“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.