SCHEMBL13837823

SCHEMBL13837823

CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
HPGD P15428 7/20 0.58
KDM4E B2RXH2 5/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
THRB P10828 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 3/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTBP1 P26599 1/20 0.46
CYP1A2 P05177 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL21247046 0.85 ALDH1A1 (0.66) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL13837687 0.84 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL1800640 0.83 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL1797219 0.82 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL3611687 0.79 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL21247359 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL21247226 0.75 KDR (0.55) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL21612947 0.75 ALDH1A1 (0.61) ALDH1A1HPGDLMNAHTTNPC1
SCHEMBL21259135 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL1800171 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ELMNASMN1; SMN2

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
US-8889672-B2 Compounds, formulations, and methods of protein kinase C inhibition THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 US disclosed
US-8889672-B2 Compounds, formulations, and methods of protein kinase C inhibition THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 US disclosed
US-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition THE PENN STATE RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition THE PENN STATE RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
WO-2012149452-A1 COMPOUNDS, FORMULATIONS, AND METHODS OF PROTEIN KINASE C INHIBITION REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-01 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 (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-20120302561-A1 Compounds, Formulations, and Methods of Protein Kinase C Inhibition PRKCA, PRKCH, PRKCI ALDH1A1 4665/4885HPGD 3541/4885KDM4E 2306/4885

“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.