SCHEMBL5863974

SCHEMBL5863974

O=C(NCc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.59
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 2/20 0.56
HTT P42858 1/20 0.55
PSMB1 P20618 1/20 0.54
PSMB5 P28074 1/20 0.54
PSMB2 P49721 1/20 0.54
LTA4H P09960 2/20 0.54
GCGR P47871 1/20 0.52
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
FLT1 P17948 1/20 0.51
FLT3 P36888 1/20 0.51
MCHR1 Q99705 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MET P08581 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5864112 0.88 SRC (0.56) ROCK2ROCK1HTTPSMB1PSMB5
SCHEMBL5864316 0.86 PSMB1 (0.59) KDRHTTPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL5863873 0.85 PSMB1 (0.57) KDRHTTPSMB1PSMB5PSMB2
SCHEMBL5863976 0.82 LTA4H (0.73) KDRHTTLTA4H
SCHEMBL5863952 0.81 EPHX2 (0.54) KDRHTTPSMB1PSMB5PSMB2
SCHEMBL5863807 0.79 ESR1 (0.57) KDRHTTPSMB1PSMB5PSMB2
SCHEMBL5175647 0.79 LTA4H (0.60) KDRHTTPSMB1PSMB5PSMB2
SCHEMBL14287743 0.78 GLA (0.74) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL14287739 0.78 GLA (0.74) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6694228 0.77 PSMB1 (0.52) KDRPSMB1PSMB5PSMB2LTA4H

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 8 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 claimed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO claimed
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 KDR 1077/4885ROCK2 2197/4885ROCK1 1763/4885

“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.