SCHEMBL17845152

SCHEMBL17845152

O=C(c1ccc(F)c(F)c1)c1c(-c2ccccc2Cl)nsc1-c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.36
HSD17B1 P14061 4/20 0.36
HSD17B2 P37059 4/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
HSD17B14 Q9BPX1 1/20 0.35
HTR5A P47898 1/20 0.35
USP7 Q93009 1/20 0.35
MAP4K4 O95819 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 2/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL19124828 0.92 HTR5A (0.37) CNR1CNR2HSD17B14HTR5AMAP4K4
SCHEMBL17845139 0.88 CNR1 (0.43) CNR1CNR2RAB9APTGS2MAPT
SCHEMBL17845114 0.79 CNR1 (0.35) CNR1CNR2RAB9AALDH1A1MAPT
SCHEMBL17845135 0.79 RAB9A (0.44) RAB9AALDH1A1MAPT
SCHEMBL17845104 0.78 ESR1 (0.42) ESR1ESR2
SCHEMBL17845137 0.71 USP7 (0.41) DEGS1USP7ESR1ESR2PTGS2
SCHEMBL17845084 0.68 GPBAR1 (0.44) CNR1CNR2RAB9AALDH1A1MAPT
SCHEMBL17845207 0.67 GPBAR1 (0.49) CNR1CNR2RAB9AALDH1A1MAPT
SCHEMBL17845090 0.67 L3MBTL1 (0.49) RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL2730191 0.65 PTGS1 (0.43) CNR1CNR2USP7ESR1ESR2

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 DEGS1 3850/4885HSD17B1 69/4885HSD17B2 52/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 DEGS1 3850/4885HSD17B1 69/4885HSD17B2 52/4885

“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.