SCHEMBL17845095

SCHEMBL17845095

COc1ccc(-c2snc(-c3ccccc3Cl)c2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PTGS2 P35354 1/20 0.41
PTPN1 P18031 1/20 0.40
ALOX5 P09917 2/20 0.39
PIK3CD O00329 2/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
GRM1 Q13255 1/20 0.38
TEK Q02763 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL21780933 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1PTGS2PTPN1ALOX5
SCHEMBL17845084 0.80 GPBAR1 (0.44) HSP90AA1HSP90AB1ALOX5NPC1RAB9A
SCHEMBL17845090 0.79 L3MBTL1 (0.49) HSP90AA1HSP90AB1NPC1RAB9AL3MBTL1
SCHEMBL2721067 0.74 GPBAR1 (0.47) HSP90AA1PTGS2NPC1RAB9AL3MBTL1
SCHEMBL5681041 0.73 ABL1 (0.60) PTPN1NPC1RAB9AL3MBTL1ABL1
SCHEMBL17845139 0.73 CNR1 (0.43) HSP90AA1HSP90AB1PTGS2NPC1RAB9A
SCHEMBL11755156 0.70 LMNA (0.48) PTGS2ALOX5NPC1RAB9AL3MBTL1
SCHEMBL17845183 0.70 APP (0.44) PTGS2ALOX5PIK3CDNPC1RAB9A
SCHEMBL22949436 0.67 GPR3 (0.46) PTPN1NPC1RAB9AL3MBTL1ABL1
SCHEMBL7844836 0.67 PTGS2 (0.56) PTGS2ALOX5

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 HSP90AA1 2956/4885HSP90AB1 2724/4885PTGS2 940/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 HSP90AA1 2956/4885HSP90AB1 2724/4885PTGS2 940/4885

“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.