SCHEMBL17617235

SCHEMBL17617235

CCC(C(=O)OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ ADRB2 P07550 2/20 0.48
▸ ADRB1 P08588 2/20 0.48
▸ ADRB3 P13945 2/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ POLB P06746 2/20 0.46
▸ KCNJ1 P48048 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL17617143 0.83 ADRB2 (0.53) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL17617123 0.83 ADRB2 (0.53) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL17617130 0.83 ADRB2 (0.53) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL904579 0.82 TDP1 (0.55) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL17617236 0.81 ADRB2 (0.51) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL28003628 0.78 TDP1 (0.50) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL27810162 0.78 ADRB2 (0.54) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL27607621 0.77 MAPT (0.55) L3MBTL1ALDH1A1KDM4EMAPTGAA
SCHEMBL20549015 0.77 KMT2A (0.55) ATML3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL27523213 0.77 ADRB2 (0.52) ATML3MBTL1ALDH1A1KDM4EMAPT

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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 — — 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS ATM 1478/4885L3MBTL1 1448/4885ALDH1A1 236/4885

“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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