SCHEMBL1955955

SCHEMBL1955955

COC(=O)c1ccc(N2CCC(=Cc3ccccc3B3OC(C)(C)C(C)(C)O3)CC2)cc1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1956001 0.83 HTR6 (0.38) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL2388913 0.83 ALDH1A1 (0.42) SMN1; SMN2KMT2ALIPESRD5A2HSD17B10
Dimethyl Sulfoxide SCHEMBL2479410 0.81 CYP2C9 (0.37) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL1957162 0.76 CYP2C9 (0.47) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL1955377 0.72 LTA4H (0.53) HTR6CYP2C9CYP2C19KMT2AHSD17B10
SCHEMBL27910608 0.72 MAPT (0.51) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL2831091 0.72 SMN1; SMN2 (0.43) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL27850273 0.69 HTR6 (0.42) HTR6CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL1955303 0.69 PDK2 (0.51) CYP2C9CYP2C19SMN1; SMN2KMT2AHSD17B10
Tert-Butyl Formate SCHEMBL27850274 0.69 LTA4H (0.44) HTR6KMT2AHSD17B10MEN1ALDH1A1

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 21 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-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-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-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-20140057889-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC. (US) 2014-02-27 — — US disclosed
US-8586754-B2 BCL-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2013-11-19 — — US disclosed
US-20130296295-A1 BCL-2 SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2013-11-07 — — 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
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-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 — — US 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 (6 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-20130296295-A1 BCL-2 SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3391/4885CYP2C9 4862/4885CYP2C19 4846/4885
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3253/4885CYP2C9 4858/4885CYP2C19 4846/4885
US-20140107119-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3253/4885CYP2C9 4858/4885CYP2C19 4846/4885
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3253/4885CYP2C9 4858/4885CYP2C19 4846/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3253/4885CYP2C9 4858/4885CYP2C19 4846/4885
US-20140057889-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 HTR6 3253/4885CYP2C9 4858/4885CYP2C19 4846/4885

“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.

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