SCHEMBL6356470

SCHEMBL6356470

CC(C)(C)C(N)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
KIF11 P52732 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
CASR P41180 3/20 0.38
TSHR P16473 1/20 0.37
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SNCA P37840 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6357707 1.00 ALDH1A1 (0.43) ALDH1A1POLBTDP1LMNAHTT
SCHEMBL6356821 1.00 ALDH1A1 (0.43) ALDH1A1POLBTDP1LMNAHTT
SCHEMBL6357306 0.83 CYP2D6 (0.47) ALDH1A1TDP1LMNAHTTKIF11
SCHEMBL6357842 0.81 CASR (0.43) ALDH1A1TDP1KIF11CASRTSHR
SCHEMBL6357928 0.80 TSHR (0.55) ALDH1A1POLBTDP1KIF11CASR
SCHEMBL6362798 0.79 SLC1A3 (0.46) ALDH1A1KIF11TSHRCA2
SCHEMBL83885 0.79 LMNA (0.61) ALDH1A1TDP1LMNAHTTPKM
SCHEMBL30487906 0.79 LMNA (0.61) ALDH1A1TDP1LMNAHTTPKM
SCHEMBL8715253 0.77 LMNA (0.59) ALDH1A1TDP1LMNAHTTPKM
SCHEMBL6913755 0.77 LMNA (0.59) ALDH1A1TDP1LMNAHTTPKM

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-20050107473-A1 Process for producing tert-leucine AJINOMOTO CO. INC (JP) 2005-05-19 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-20050107473-A1 Process for producing tert-leucine TERT, LRRK2, BCAT1 ALDH1A1 1392/4885POLB 839/4885TDP1 804/4885

“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.