SCHEMBL4028000

SCHEMBL4028000

CC(C)(C)OC(=O)N[C@H](CCC(=O)Oc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
BTK Q06187 7/20 0.38
CACNA1B Q00975 7/20 0.37
CMKLR1 Q99788 2/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL4027998 1.00 ESR1 (0.49) ESR1BTKCACNA1BCMKLR1ACE
SCHEMBL27573477 0.93 ESR1 (0.45) ESR1BTKCACNA1B
SCHEMBL27573478 0.93 ESR1 (0.45) ESR1BTKCACNA1B
SCHEMBL4030858 0.83 ESR1 (0.53) ESR1BTKCMKLR1
SCHEMBL4030187 0.78 ESR1 (0.61) ESR1BTKCMKLR1
SCHEMBL27700855 0.77 ESR1 (0.51) ESR1BTKCMKLR1
SCHEMBL4029342 0.76 ESR1 (0.69) ESR1BTKCMKLR1
SCHEMBL27573495 0.72 ESR1 (0.61) ESR1BTK
SCHEMBL17553133 0.69 PPARG (0.40) CACNA1BACE
SCHEMBL27548054 0.69 ESR1 (0.69) ESR1BTKCMKLR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP claimed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 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-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885BTK 810/4885CACNA1B 3980/4885

“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.