SCHEMBL9911432

SCHEMBL9911432

CC(CC(=O)O)NC(=O)COC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 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
SCHEMBL13681671 0.77 ALDH1A1 (0.44) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL13042025 0.77 CYP2C9 (0.46) ITGB3ITGA2BMAPTLMNASMN1; SMN2
SCHEMBL6467471 0.77 CYP2C9 (0.46) ITGB3ITGA2BMAPTLMNASMN1; SMN2
SCHEMBL9911441 0.76 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL9911440 0.76 ALDH1A1 (0.45) MAPTLMNAALDH1A1KMT2AKDM4E
SCHEMBL7508743 0.75 ITGB3 (0.42) ITGB3ITGA2BMAPTLMNATHRB
SCHEMBL23794430 0.74 ALDH1A1 (0.42) ITGB3ITGA2BMAPTLMNASMN1; SMN2
SCHEMBL22819453 0.74 ITGB3 (0.41) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL6249964 0.72 SLC22A6 (0.39) ITGB3ITGA2BMAPTLMNASMN1; SMN2
SCHEMBL31445041 0.72 ALDH1A1 (0.38) LMNAALDH1A1AAK1KMT2APOLB

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-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ITGB3 3481/4885ITGA2B 3181/4885MAPT 2404/4885

“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.