SCHEMBL6357842

SCHEMBL6357842

CC(C)(C)[C@H](N)C(=O)O.Cc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FBP1 P09467 5/20 0.41
KIF11 P52732 3/20 0.39
KMT2A Q03164 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
KAT6A Q92794 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL6357928 0.85 TSHR (0.55) CASRALDH1A1TSHRHSD17B10TDP1
SCHEMBL6357306 0.82 CYP2D6 (0.47) ALDH1A1TSHRTDP1KIF11KMT2A
SCHEMBL6356470 0.81 ALDH1A1 (0.43) CASRALDH1A1TSHRHSD17B10TDP1
SCHEMBL6356821 0.81 ALDH1A1 (0.43) CASRALDH1A1TSHRHSD17B10TDP1
SCHEMBL6357707 0.81 ALDH1A1 (0.43) CASRALDH1A1TSHRHSD17B10TDP1
SCHEMBL6829966 0.79 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1FBP1
SCHEMBL29473347 0.79 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1FBP1
SCHEMBL136546 0.79 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1FBP1
SCHEMBL6832061 0.79 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10TDP1FBP1
SCHEMBL6355209 0.78 L3MBTL1 (0.40) CASRALDH1A1HSD17B10KIF11KMT2A

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 CASR 3171/4885ALDH1A1 1392/4885TSHR 135/4885

“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.