SCHEMBL17845139

SCHEMBL17845139

COc1ccc(-c2snc(-c3ccccc3Cl)c2C(=O)c2ccc(F)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KMT2A Q03164 1/20 0.40
VNN1 O95497 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
MAPT P10636 2/20 0.38
STAT3 P40763 1/20 0.37
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CHRM5 P08912 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL19123932 0.89 CNR1 (0.43) CNR1CNR2VNN1MAPTSTAT3
SCHEMBL19124828 0.89 HTR5A (0.37) CNR1CNR2KMT2AVNN1RAB9A
SCHEMBL17845152 0.88 DEGS1 (0.36) CNR1CNR2RAB9AL3MBTL1PTGS2
SCHEMBL17845084 0.82 GPBAR1 (0.44) CNR1CNR2KMT2ARAB9ANPC1
SCHEMBL17845114 0.81 CNR1 (0.35) CNR1CNR2KMT2ARAB9ANPC1
SCHEMBL17845090 0.81 L3MBTL1 (0.49) KMT2ARAB9ANPC1L3MBTL1GPBAR1
SCHEMBL17845207 0.80 GPBAR1 (0.49) CNR1CNR2KMT2ARAB9ANPC1
SCHEMBL17845095 0.73 HSP90AA1 (0.43) RAB9ANPC1L3MBTL1PTGS2GPBAR1
SCHEMBL19125371 0.72 S1PR3 (0.35) KMT2ARAB9ALMNANPSR1RXFP1
SCHEMBL21780933 0.70 HSP90AA1 (0.41) RAB9ANPC1L3MBTL1PTGS2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406424-B Estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-08-25 CN disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 CNR1 692/4885CNR2 816/4885KMT2A 2655/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 CNR1 692/4885CNR2 816/4885KMT2A 2655/4885

“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.