SCHEMBL4869802

SCHEMBL4869802

CC(C)N1C(=O)SC(=Cc2ccc(Oc3ccc(F)cc3)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
IKBKB O14920 2/20 0.49
BCL2L1 Q07817 1/20 0.47
AKR1B1 P15121 1/20 0.46
MYC P01106 2/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL4566853 1.00 MCL1 (0.57) MCL1ALDH1A1HPGDIKBKBBCL2L1
SCHEMBL17934622 0.92 ALDH1A1 (0.60) MCL1ALDH1A1HPGDMYC
SCHEMBL4215334 0.83 KDM4E (0.55) IKBKBAKR1B1ENPP2
SCHEMBL4828044 0.83 KDM4E (0.55) IKBKBAKR1B1ENPP2
SCHEMBL1102002 0.78 ALDH1A1 (0.70) MCL1ALDH1A1HPGDMYC
SCHEMBL17934604 0.76 MYC (0.59) MCL1ALDH1A1HPGDMYC
SCHEMBL4207906 0.75 AKR1B1 (0.59) MCL1HPGDAKR1B1ENPP2
SCHEMBL2172867 0.75 MCL1 (0.44) MCL1ALDH1A1HPGD
SCHEMBL4207901 0.75 AKR1B1 (0.59) MCL1HPGDAKR1B1ENPP2
SCHEMBL4209066 0.75 MAPK1 (0.55) MCL1IKBKBAKR1B1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348348-B2 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK & CO. INC. (US) 2008-03-25 US disclosed
US-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers MERCK SHARP & DOHME CORP. 2005-07-28 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 (1 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-20050165072-A1 Aryl-link-aryl substituted thiazolidine-dione and oxazolidine-dione as sodium channel blockers KCNN1, KCNH1, KCNN2 MCL1 1647/4885ALDH1A1 993/4885HPGD 2151/4885

“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.