SCHEMBL18418521

SCHEMBL18418521

CCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MDM2 Q00987 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ TNF P01375 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18418520 1.00 TLR2 (0.51) TLR2ALDH1A1MAPTLMNAMDM2
SCHEMBL23728631 0.87 CASP3 (0.44) ALDH1A1MAPTLMNAMDM2HPGD
SCHEMBL15281424 0.87 CASP3 (0.44) ALDH1A1MAPTLMNAMDM2HPGD
SCHEMBL872752 0.87 CASP3 (0.44) ALDH1A1MAPTLMNAMDM2HPGD
SCHEMBL30410248 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHPGDPLA2G1B
SCHEMBL25695323 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHPGDPLA2G1B
SCHEMBL30013082 0.85 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDPLA2G1B
SCHEMBL15106634 0.84 BRD4 (0.41) ALDH1A1MAPTLMNAMDM2HPGD
SCHEMBL15182047 0.84 BRD4 (0.41) ALDH1A1MAPTLMNAMDM2HPGD
SCHEMBL2641803 0.84 BRD4 (0.41) ALDH1A1MAPTLMNAMDM2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029437-A1 Compositions and Methods for Treating Neoplasia, Inflammatory Disease and Other Disorders NATIONAL INSTITUTES OF HEALTH- DIRECTOR DEITR 2017-02-02 — — 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-20170029437-A1 Compositions and Methods for Treating Neoplasia, Inflammatory Disease and Other Disorders BRPF3, EP300, BRD3 TLR2 1942/4885ALDH1A1 3670/4885MAPT 2072/4885

“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.

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