SCHEMBL1700396

SCHEMBL1700396

CN(c1ccc(S(N)(=O)=O)cc1N)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 8/20 0.41
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA9 Q16790 5/20 0.41
FFAR2 O15552 1/20 0.40
CA7 P43166 5/20 0.40
CA14 Q9ULX7 5/20 0.40
CA4 P22748 4/20 0.40
CA6 P23280 4/20 0.40
CA5A P35218 4/20 0.40
CA5B Q9Y2D0 4/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 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
SCHEMBL1700045 0.88 CA2 (0.42) CA2CA12CA1CA9FFAR2
SCHEMBL1700343 0.85 PTGS1 (0.43) CA2CA12CA1CA9FFAR2
SCHEMBL523814 0.83 HTT (0.52) ALDH1A1CA2CA12CA1CA9
SCHEMBL1700153 0.83 PDE3B (0.40) FFAR2RAB9ALMNANPC1HTT
SCHEMBL1700139 0.82 FFAR2 (0.35) ALDH1A1CA2CA12CA1CA9
SCHEMBL1808963 0.80 BCL2L1 (0.38) CA2CA12CA1FFAR2CA7
SCHEMBL2483132 0.80 HSP90AA1 (0.34) CA2CA12CA1CA9FFAR2
SCHEMBL1700199 0.80 HTT (0.47) ALDH1A1CA2CA12CA1CA9
SCHEMBL16037787 0.79 HTT (0.53) ALDH1A1CA2CA12CA1CA9
SCHEMBL2482923 0.79 CA2 (0.50) CA2CA12CA1CA9FFAR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 EP disclosed
US-9034875-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-19 US disclosed
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 US disclosed
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 US disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 US 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-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885CYP1A2 4440/4885CYP2C9 4868/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885CYP1A2 4440/4885CYP2C9 4868/4885

“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.