SCHEMBL5863885

SCHEMBL5863885

O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.59
SIGMAR1 Q99720 5/20 0.53
ESR1 P03372 1/20 0.53
OPRM1 P35372 1/20 0.51
CNR2 P34972 3/20 0.50
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR1 P21554 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL5863852 0.90 ESR1 (0.57) HTR7ESR1CNR2HPGDKMT2A
SCHEMBL5863848 0.83 CCR3 (0.53) SIGMAR1ESR1OPRM1HTR2A
SCHEMBL5863792 0.82 ESR1 (0.53) ESR1CNR2HPGDKMT2ACNR1
SCHEMBL5863752 0.80 ESR1 (0.48) ESR1CNR2HPGDKMT2ACNR1
SCHEMBL5864358 0.77 ESR1 (0.49) ESR1CNR2HPGDKMT2ACNR1
SCHEMBL5539548 0.76 SIGMAR1 (0.79) HTR7SIGMAR1OPRM1
SCHEMBL6295367 0.76 ESR1 (0.88) ESR1CNR2KMT2ACNR1LMNA
SCHEMBL5863970 0.75 ESR1 (0.54) ESR1CNR2CNR1LMNA
SCHEMBL5863831 0.75 ESR1 (0.63) SIGMAR1ESR1CNR2CNR1LMNA
SCHEMBL5863359 0.74 ESR1 (0.65) ESR1CNR2CNR1LMNA

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 HTR7 2347/4885SIGMAR1 467/4885ESR1 4/4885

“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.