SCHEMBL1958013

SCHEMBL1958013

COC(=O)c1ccc(Br)cc1Oc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NR4A2 P43354 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A3 Q01959 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CCR9 P51686 1/20 0.40

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
SCHEMBL26647783 0.85 KDM4E (0.48) L3MBTL1NR4A2ALDH1A1CYP1A2CYP3A4
SCHEMBL12726149 0.85 POLB (0.46) HSD17B10TDP1ALDH1A1HTTCYP1A2
SCHEMBL12765296 0.84 RAF1 (0.50) HSD17B10TDP1CYP46A1ALDH1A1CYP1A2
SCHEMBL1957491 0.84 HSD17B10 (0.59) HSD17B10TDP1NR4A2ALDH1A1CYP1A2
SCHEMBL12765104 0.83 CCNC (0.48) L3MBTL1TDP1NR4A2ALDH1A1SLC6A3
SCHEMBL19513720 0.81 NCEH1 (0.47) HSD17B10L3MBTL1NR4A2ALDH1A1HTT
SCHEMBL4521411 0.78 KDM4E (0.50) HSD17B10L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL257244 0.78 NR4A2 (0.51) HSD17B10L3MBTL1NR4A2ALDH1A1HTT
SCHEMBL29827082 0.78 NR4A2 (0.51) HSD17B10L3MBTL1NR4A2ALDH1A1HTT
SCHEMBL19940274 0.78 CDK8 (0.49) HSD17B10L3MBTL1NR4A2HTTCYP1A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
EP-2507229-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-10-05 EP disclosed
EP-2376480-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-06-01 EP disclosed
US-9315488-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2016-04-19 US disclosed
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-01-14 US disclosed
US-9125913-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-09-08 US disclosed
US-9073855-B2 BCL-2 selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-07-07 US disclosed
US-9072748-B2 BCL-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-07-07 US disclosed
US-9045420-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140107119-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC. (US) 2014-04-17 US disclosed
US-8563735-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2013-10-22 US disclosed
US-8486936-B2 Antagonist of smoothened AllaChem, LLC (US) 2013-07-16 US disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20110098291-A1 ANTAGONIST OF SMOOTHENED Alla Chem Inc. (US) 2011-04-28 US disclosed
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
WO-2010129620-A1 IMIDAZO [ 1, 2 -A] PYRIDIN-2 -YL-PHENYL DERIVATIVES TO BE USED IN CANCER TREATMENT ALLA CHEM, LLC (US) 2010-11-11 WO disclosed
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 US disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 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 (5 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-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HSD17B10 2707/4885L3MBTL1 432/4885TDP1 3300/4885
US-20110098291-A1 ANTAGONIST OF SMOOTHENED SMO, SHH, GLI1 HSD17B10 3896/4885L3MBTL1 1963/4885TDP1 4578/4885
US-20140107119-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HSD17B10 2707/4885L3MBTL1 432/4885TDP1 3300/4885
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HSD17B10 2707/4885L3MBTL1 432/4885TDP1 3300/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HSD17B10 2707/4885L3MBTL1 432/4885TDP1 3300/4885

“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.