SCHEMBL1331671

SCHEMBL1331671

O=C(O)C=CC1C=CC=C(C(F)(F)F)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30165657 0.77 TSHR (0.33) TSHRMAPK1HSD17B10TDP1
SCHEMBL21226686 0.73
SCHEMBL6660448 0.72 TSHR (0.33) TSHRMAPK1HSD17B10TDP1
SCHEMBL7102475 0.72 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
SCHEMBL28551354 0.69 HCAR2 (0.33) HSD17B10
SCHEMBL22826713 0.66
SCHEMBL22753318 0.64 POLB (0.31) TSHR
SCHEMBL967282 0.64
SCHEMBL21401201 0.60
SCHEMBL30932999 0.58 ALDH1A1 (0.33) HSD17B10

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-2170805-B1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC (US) 2016-03-16 EP disclosed
US-8183415-B2 Methods of synthesizing cinacalcet and salts thereof AMGEN, INC. (US) 2012-05-22 US disclosed
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2011-11-17 US disclosed
EP-2170805-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF Amgen Inc. (US) 2010-04-07 EP disclosed
US-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. 2009-05-28 US disclosed
WO-2009002427-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF AMGEN INC. (US) 2008-12-31 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 (2 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-20090137837-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN TSHR 3980/4885MAPK1 4445/4885HSD17B10 3133/4885
US-20110281954-A1 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF ACE, SI, REN TSHR 3980/4885MAPK1 4445/4885HSD17B10 3133/4885

“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.