SCHEMBL1743697

SCHEMBL1743697

Cc1c(S(N)(=O)=O)sc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.49
PFKFB4 Q16877 1/20 0.46
GHSR Q92847 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 1/20 0.41
HTR2A P28223 7/20 0.41
HTR7 P34969 7/20 0.41
DRD2 P14416 6/20 0.40
HTR6 P50406 6/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL787942 0.85 CMA1 (0.51) CMA1PFKFB4GHSRNPSR1L3MBTL1
SCHEMBL788282 0.85 CMA1 (0.48) CMA1PFKFB4GHSRNPSR1L3MBTL1
SCHEMBL10369582 0.83 NPSR1 (0.50) CMA1PFKFB4NPSR1L3MBTL1CA2
SCHEMBL1742182 0.80 PFKFB3 (0.51) CMA1PFKFB4NPSR1L3MBTL1CA2
SCHEMBL1548591 0.80 NPSR1 (0.62) CMA1PFKFB4NPSR1L3MBTL1HTR6
SCHEMBL1260774 0.78 CMA1 (0.62) CMA1PFKFB4GHSRNPSR1L3MBTL1
SCHEMBL1575935 0.75 HSD11B1 (0.44) CMA1L3MBTL1CA2
SCHEMBL13572241 0.75 CMA1 (0.71) CMA1PFKFB4GHSR
SCHEMBL2614663 0.74 CYP17A1 (0.42) CMA1PFKFB4
SCHEMBL3780823 0.73 CMA1 (0.84) CMA1PFKFB4GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2013-07-18 US disclosed
US-8338466-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-2387559-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 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 (3 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-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CMA1 3161/4885PFKFB4 3049/4885GHSR 3595/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CMA1 3281/4885PFKFB4 2988/4885GHSR 3545/4885
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CMA1 3161/4885PFKFB4 3049/4885GHSR 3595/4885

“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.