SCHEMBL13698109

SCHEMBL13698109

CC(C)(C)C1C(=O)Nc2ccc(NS(C)(=O)=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KAT2B Q92831 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NR3C2 P08235 1/20 0.37
BRPF1 P55201 1/20 0.36
TDP2 O95551 1/20 0.36
NQO2 P16083 2/20 0.36
ABL1 P00519 1/20 0.35
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KIT P10721 2/20 0.34

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 0.75 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTNR3C2KDM4E
SCHEMBL27561520 0.74 PDPK1 (0.41) PDPK1ALDH1A1KAT2BBRPF1KIT
SCHEMBL23869671 0.73 HTR7 (0.39)
SCHEMBL13698114 0.72 TSHR (0.38) ALDH1A1SMN1; SMN2MAPTAURKBKDM4E
SCHEMBL13698113 0.69 ALDH1A1 (0.48) ALDH1A1MAPTLMNA
SCHEMBL23369200 0.69 NQO2 (0.39) PDPK1MAPTNQO2LMNA
SCHEMBL14030433 0.69 IDO1 (0.46) ALDH1A1MAPTBRPF1KDM4E
SCHEMBL27591208 0.67 PDPK1 (0.59) PDPK1ALDH1A1TDP2ABL1
SCHEMBL28124444 0.67 KEAP1 (0.45) ALDH1A1SMN1; SMN2MAPTNR3C2KDM4E
SCHEMBL16997522 0.65 USP2 (0.36) ALDH1A1MAPTKDM4E

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-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
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 PDPK1 551/4885ALDH1A1 4117/4885KAT2B 624/4885

“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.