SCHEMBL5863933

SCHEMBL5863933

Clc1cc(OC2CCCCO2)ccc1CNc1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
HSD11B1 P28845 1/20 0.32
MAOB P27338 3/20 0.32
PPARD Q03181 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ACP1 P24666 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5863302 0.82 LTA4H (0.47)
SCHEMBL5863815 0.82 HIF1A (0.45) DHFRHIF1AEPAS1MEN1KMT2A
SCHEMBL5863905 0.80 DHFR (0.48) DHFRHIF1AEPAS1MEN1KMT2A
SCHEMBL674989 0.75 TNK2 (0.40) DHFRHSD11B1ACP1MEN1KMT2A
SCHEMBL15100422 0.71 HSD11B1 (0.40) DHFRHSD11B1MEN1KMT2AKDM4C
SCHEMBL15100425 0.71 HSD11B1 (0.40) DHFRHSD11B1MEN1KMT2AKDM4C
SCHEMBL5535487 0.71 HSD11B1 (0.40) DHFRHSD11B1MEN1KMT2AKDM4C
SCHEMBL7172082 0.71 HSD11B1 (0.40) DHFRHSD11B1MEN1KMT2AKDM4C
SCHEMBL5863517 0.70 TP53 (0.31) DHFR
SCHEMBL5863688 0.70 RAB9A (0.52) HIF1AMEN1KMT2ANPC1RAB9A

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 DHFR 3070/4885HIF1A 1261/4885EPAS1 1970/4885

“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.