SCHEMBL5864358

SCHEMBL5864358

O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCCC2CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
SPHK1 Q9NYA1 9/20 0.44
SPHK2 Q9NRA0 8/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 4/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.40
CNR1 P21554 2/20 0.40
RORC P51449 1/20 0.39

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 0.82 ESR1 (0.57) ESR1LMNAHPGDKMT2ACNR2
SCHEMBL5863752 0.81 ESR1 (0.48) ESR1LMNAHPGDKMT2ACNR2
SCHEMBL5863848 0.79 CCR3 (0.53) ESR1
SCHEMBL5864306 0.78 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL5863774 0.78 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL5863792 0.77 ESR1 (0.53) ESR1LMNAHPGDKMT2ACNR2
SCHEMBL5863885 0.77 HTR7 (0.59) ESR1LMNAHPGDKMT2ACNR2
SCHEMBL5863975 0.77 ESR1 (0.55) ESR1KMT2ACNR2NR1I2NR3C1
SCHEMBL18922677 0.76 SPHK2 (0.63) SPHK1SPHK2
SCHEMBL5864277 0.75 ESR1 (0.53) ESR1LMNAHPGDKMT2ACNR2

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 ESR1 4/4885SPHK1 315/4885SPHK2 292/4885

“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.