SCHEMBL1700073

SCHEMBL1700073

CC(=O)N1CCCC(C(NC(=O)O)C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL1700055 0.91 EPHX2 (0.36) EPHX2EPHX1CPN1CPB2DPP4
SCHEMBL1812907 0.78 TSHR (0.50) ALDH1A1MAPK1GAACYP2C19
SCHEMBL17527350 0.74 BTK (0.47) EPHX2
SCHEMBL20082953 0.73 EPHX2 (0.40) EPHX2EPHX1CA1CA2CA12
SCHEMBL463524 0.73 EPHX2 (0.40) EPHX2EPHX1CA1CA2CA12
SCHEMBL7883654 0.73 EPHX2 (0.40) EPHX2EPHX1CA1CA2CA12
SCHEMBL5965369 0.73 ALDH1A1 (0.34) CA1CA2CA12CA9ALDH1A1
SCHEMBL15491932 0.72 CA1 (0.46) EPHX2EPHX1CA1CA2CA12
SCHEMBL1700046 0.71 TSHR (0.43) ALDH1A1MAPK1GAACYP2C19
SCHEMBL20738587 0.70 EPHX2 (0.38) EPHX2EPHX1CA1CA2CA12

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-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent ABBVIE INC. (US) 2022-06-28 US disclosed
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
US-20150148331-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT GMBH & CO. KG (DE) 2015-05-28 US 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
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 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 (4 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-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent BCL2, BAX, BCL2L1 EPHX2 4513/4885EPHX1 4807/4885CA1 1877/4885
US-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 EPHX2 4568/4885EPHX1 4831/4885CA1 2706/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3825/4885EPHX1 3977/4885CA1 1290/4885
US-20150148331-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 EPHX2 4513/4885EPHX1 4807/4885CA1 1877/4885

“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.