SCHEMBL19985030

SCHEMBL19985030

Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ ATM Q13315 1/20 0.45
▸ CASR P41180 2/20 0.44
▸ MGLL Q99685 4/20 0.43
▸ FAAH O00519 4/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL19984916 0.86 CASR (0.49) GAACASRKMT2AALDH1A1
SCHEMBL19984947 0.84 CASR (0.52) GAAATMCASRFAAHKMT2A
SCHEMBL31531040 0.75 MEN1 (0.62) GAAATMFAAHKMT2AL3MBTL1
SCHEMBL10308040 0.75 MEN1 (0.62) GAAATMFAAHKMT2AL3MBTL1
SCHEMBL4430377 0.74 KMT2A (0.66) GAAATMMGLLKMT2AL3MBTL1
SCHEMBL18737584 0.73 MGLL (0.46) GAAATMMGLLKMT2AMAPT
SCHEMBL30475423 0.73 GAA (0.58) GAAATMMGLLKMT2AMAPT
SCHEMBL30475420 0.73 GAA (0.58) GAAATMMGLLKMT2AMAPT
SCHEMBL1097040 0.72 GAA (0.58) GAAATMKMT2AMAPTALDH1A1
SCHEMBL8773960 0.71 GAA (0.54) GAAATMMGLLKMT2AMAPT

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-20180079715-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND ITS PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-03-22 — — 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-20180079715-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND ITS PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE CASR, TAAR1, UTS2R GAA 3369/4885ATM 2007/4885CASR 1/4885

“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.

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