SCHEMBL5019977

SCHEMBL5019977

CCC#Cc1cc(F)c2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
NR3C2 P08235 1/20 0.33
BUB1 O43683 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HTR6 P50406 1/20 0.32
DPP4 P27487 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
EPHB4 P54760 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
SCHEMBL794682 0.83 FFAR1 (0.33)
SCHEMBL794655 0.77 ACLY (0.44) ACLYBUB1HSP90AA1HSP90AB1HTR6
SCHEMBL4047054 0.76 ACLY (0.42) ACLYBUB1HSP90AA1HSP90AB1HTR6
SCHEMBL30933400 0.74 ACLY (0.36) ACLYBUB1HSP90AA1HSP90AB1HTR6
SCHEMBL24021144 0.73 ACLY (0.43) ACLYNR3C2BUB1HSP90AA1HSP90AB1
SCHEMBL30310705 0.73 ACLY (0.43) ACLYNR3C2BUB1HSP90AA1HSP90AB1
SCHEMBL16339898 0.72 ACLY (0.54) ACLYBUB1HSP90AA1HSP90AB1GPR119
SCHEMBL30292201 0.71 GABRA5 (0.37) ACLYBUB1HSP90AA1HSP90AB1HTR6
SCHEMBL29005683 0.70 ACLY (0.41) ACLYNR3C2BUB1HSP90AA1HSP90AB1
SCHEMBL25336801 0.70 ACLY (0.43) ACLYBUB1HSP90AA1HSP90AB1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 EP disclosed
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 EP disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 US disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ACLY 3214/4885NR3C2 33/4885BUB1 3825/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ACLY 3247/4885NR3C2 32/4885BUB1 3822/4885

“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.