SCHEMBL227073

SCHEMBL227073

CC(C)(COc1ccc(C(=O)O)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.52
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.42
SSTR4 P31391 2/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 1/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
TSHR P16473 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
SCHEMBL926919 0.81 RAB9A (0.49) AAK1LMNAMAPK1HTTRAB9A
SCHEMBL2741680 0.81 AAK1 (0.51) AAK1SSTR4MAPT
SCHEMBL228794 0.80 MAPT (0.47) AAK1MAPK1HTTRAB9AMAPT
SCHEMBL25788284 0.78 RAB9A (0.56) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL7349419 0.77 LMNA (0.58) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL24700399 0.76 HTT (0.46) AAK1LMNAMAPK1HTTRAB9A
SCHEMBL23434775 0.75 SSTR4 (0.46) AAK1MAPK1SSTR4
SCHEMBL16533776 0.75 LMNA (0.56) LMNAMAPK1HTTRAB9AMRGPRX4
SCHEMBL23434773 0.74 SSTR4 (0.45) AAK1SSTR4
SCHEMBL23434777 0.74 SSTR4 (0.45) AAK1SSTR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 AAK1 2073/4885LMNA 3237/4885MAPK1 1484/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 AAK1 2058/4885LMNA 1494/4885MAPK1 1633/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 AAK1 1968/4885LMNA 2894/4885MAPK1 1582/4885

“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.