SCHEMBL3779788

SCHEMBL3779788

CC(C)(C)N(C(=O)O)[C@H]1Cc2cc(S(=O)(=O)c3ccccc3)ccc2N(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 5/20 0.39
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTR6 P50406 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GOT1 P17174 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL3809690 0.76 AADAT (0.64) AADATKYAT1KYAT3GOT1
SCHEMBL3768668 0.76 AADAT (0.64) AADATKYAT1KYAT3GOT1
SCHEMBL6763220 0.76 KYAT1 (0.40) AADATKYAT1KYAT3WNT3SFRP1
SCHEMBL3786143 0.75 AADAT (0.42) AADATKYAT1KYAT3HTR6HTR2C
SCHEMBL3774144 0.70 KMT2A (0.34) AADATKYAT1KYAT3GOT1
SCHEMBL27985269 0.67 HTR2C (0.43) POLBHTR6HPGDHTR2CHTR2B
SCHEMBL6102007 0.67 SFRP1 (0.46) POLBHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14053143 0.66 AADAT (0.62) AADATHPGDHTTALDH1A1
SCHEMBL16348707 0.66 AADAT (0.62) AADATHPGDHTR2CALDH1A1
SCHEMBL6102020 0.65 SFRP1 (0.44) POLBHTTALDH1A1SMN1; SMN2L3MBTL1

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-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B AADAT 2284/4885KYAT1 69/4885KYAT3 129/4885

“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.