SCHEMBL13698113

SCHEMBL13698113

CC(C)(C)C1C(=O)Nc2ccc(S(=O)(=O)NCCO)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PKM P14618 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13698115 0.82 MAPT (0.44) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL13698175 0.82 ALDH1A1 (0.49) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL27564366 0.77 MAPT (0.44) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL13698114 0.75 TSHR (0.38) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL13698109 0.69 PDPK1 (0.39) ALDH1A1MAPTLMNA
SCHEMBL23869671 0.68 HTR7 (0.39) POLBTP53MEN1KMT2A
SCHEMBL18995904 0.68 ALDH1A1 (0.59) ALDH1A1PKMGAAMAPTLMNA
SCHEMBL7621847 0.67 ALDH1A1 (0.75) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL19598946 0.66 PKM (1.00) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL13159565 0.66 PKM (0.93) ALDH1A1PKMGAAMAPTPOLB

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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 ALDH1A1 4117/4885PKM 413/4885GAA 3699/4885

“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.