SCHEMBL1808253

SCHEMBL1808253

CCO/C=C/c1cc(S(N)(=O)=O)cnc1N(C)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
CSF1R P07333 1/20 0.34
PDE4B Q07343 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.32
ATXN2 Q99700 2/20 0.31
PIK3CA P42336 1/20 0.31
BRD4 O60885 1/20 0.31
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PRKDC P78527 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
RORC P51449 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL1808260 0.77 BRD4 (0.39) CSF1RATXN2BRD4ATRRORC
SCHEMBL1808257 0.77 BRD4 (0.39) CSF1RATXN2BRD4ATRRORC
SCHEMBL1699999 0.77 FFAR2 (0.41) FFAR2CSF1RLMNASMN1; SMN2CA2
SCHEMBL1700272 0.77 FFAR2 (0.43) FFAR2CSF1RLMNASMN1; SMN2CA2
SCHEMBL1700915 0.76 SMN1; SMN2 (0.41) FFAR2CSF1RLMNASMN1; SMN2CA2
SCHEMBL1700294 0.74 FFAR2 (0.39) FFAR2CSF1RLMNASMN1; SMN2CA2
SCHEMBL15067936 0.68 ALDH1A1 (0.36) FFAR2CSF1RLMNASMN1; SMN2CA2
SCHEMBL28682558 0.67 LMNA (0.60) FFAR2CSF1RLMNASMN1; SMN2JAK2
SCHEMBL1700147 0.63 BRD4 (0.43) FFAR2CSF1RCA2ATXN2BRD4
SCHEMBL1700160 0.63 CA2 (0.44) FFAR2CSF1RLMNASMN1; SMN2CA2

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 5 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
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 FFAR2 3065/4885CSF1R 4122/4885PDE4B 3386/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR2 3065/4885CSF1R 4122/4885PDE4B 3386/4885

“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.