SCHEMBL17845137

SCHEMBL17845137

Oc1ccc(-c2snc(-c3ccccc3Cl)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
PTPN1 P18031 1/20 0.35
BACE1 P56817 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 1/20 0.35
DEGS1 O15121 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP2A6 P11509 1/20 0.33
TP53 P04637 1/20 0.33
MIF P14174 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
SCHEMBL17845095 0.82 HSP90AA1 (0.43) PTPN1BACE1ABL1ABCB1BCR
SCHEMBL17845152 0.71 DEGS1 (0.36) USP7ALDH1A1ESR1ESR2DEGS1
SCHEMBL2720655 0.71 PTGS1 (0.43) USP7KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5380467 0.70 CYP2A6 (0.65) USP7ALDH1A1ESR1ESR2DEGS1
SCHEMBL21780933 0.67 HSP90AA1 (0.41) PTPN1BACE1MAPTSMN1; SMN2PTGS2
SCHEMBL8401142 0.63 SMN1; SMN2 (0.41) KDM4EALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL30965411 0.63 MIF (0.46) USP7ALDH1A1ESR1ESR2MAPT
SCHEMBL9848071 0.62 NPC1 (0.76) KDM4EALDH1A1MAPTSMN1; SMN2TP53
Phenol SCHEMBL27256946 0.61 CYP2A6 (0.77) USP7ALDH1A1GLABACE1ESR2
SCHEMBL29883244 0.61 CYP2A6 (0.67) KDM4EALDH1A1SMN1; SMN2CYP2A6TP53

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 USP7 2832/4885KDM4E 2479/4885ALDH1A1 1405/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 USP7 2832/4885KDM4E 2479/4885ALDH1A1 1405/4885

“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.