SCHEMBL5864491

SCHEMBL5864491

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(/C=C/C(=O)NCCCn3ccnc3)cc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ITGB2 P05107 3/20 0.44
ICAM1 P05362 3/20 0.44
ITGAL P20701 3/20 0.44
LMNA P02545 4/20 0.43
CYP19A1 P11511 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC1 Q13547 2/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5864494 1.00 ALDH1A1 (0.57) ALDH1A1ITGB2ICAM1ITGALLMNA
SCHEMBL5864015 0.84 MMP1 (0.47) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL5864018 0.84 MMP1 (0.47) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL5864248 0.80 ALDH1A1 (0.47) ALDH1A1ICAM1LMNAHDAC1KMT2A
SCHEMBL5864243 0.80 ALDH1A1 (0.47) ALDH1A1ICAM1LMNAHDAC1KMT2A
SCHEMBL5863737 0.78 AKR1C3 (0.41) ALDH1A1LMNAMAPT
SCHEMBL5863735 0.78 AKR1C3 (0.41) ALDH1A1LMNAMAPT
SCHEMBL5863722 0.77 MMP1 (0.47) LMNAHDAC1KMT2AMEN1
SCHEMBL5863717 0.77 MMP1 (0.47) LMNAHDAC1KMT2AMEN1
SCHEMBL5864173 0.77 NR1H4 (0.48)

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 ALDH1A1 2596/4885ITGB2 3991/4885ICAM1 4844/4885

“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.