SCHEMBL1812909

SCHEMBL1812909

CC(C)(C)N(CC1CCCN(S(C)(=O)=O)C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.35
FABP6 P51161 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1700049 0.92 POLB (0.38) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL17711644 0.83 POLB (0.42) ALDH1A1TSHRATMFABP6POLB
SCHEMBL18433377 0.80 ALDH1A1 (0.38) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL1700074 0.78 FEN1 (0.39) ALDH1A1MAPK1POLB
SCHEMBL28364104 0.76 CYP2C19 (0.54) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL31616163 0.75 GAA (0.39) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL12543428 0.75 ALDH1A1 (0.37) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL12544166 0.75 ALDH1A1 (0.37) ALDH1A1TSHRATMMAPK1GAA
SCHEMBL1543694 0.75 CPN1 (0.43)
SCHEMBL4404400 0.75 ALDH1A1 (0.43) ALDH1A1TSHRATMMAPK1GAA

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
US-9174982-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-11-03 US disclosed
US-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. 2015-06-11 US disclosed
EP-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 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-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 ALDH1A1 4457/4885TSHR 4653/4885ATM 1880/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885TSHR 3724/4885ATM 1373/4885

“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.