SCHEMBL17208778

SCHEMBL17208778

CCCC[N+](C)(C)CCSC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
POLB P06746 1/20 0.55
BLM P54132 1/20 0.55
ATM Q13315 1/20 0.55
DNM1 Q05193 8/20 0.46
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
BBOX1 O75936 1/20 0.38
ACHE P22303 2/20 0.38

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
SCHEMBL16353024 0.77 CYP2C19 (0.48) CYP2C19POLBBLMATMDNM1
SCHEMBL2736682 0.75
Ammonia Solution, Strong SCHEMBL7430890 0.73
SCHEMBL3873310 0.73
Acetylthiocholine SCHEMBL77666 0.73 CYP2C19 (1.00) CYP2C19POLBBLMATMACHE
SCHEMBL1292726 0.72 DNM1 (0.81) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL9430010 0.72 CES2 (0.56) CYP2C19POLBBLMATMACHE
SCHEMBL2759892 0.72 CES2 (0.56) CYP2C19POLBBLMATMACHE
SCHEMBL21806974 0.72 CES2 (0.56) CYP2C19POLBBLMATMACHE
SCHEMBL4649867 0.72 CES2 (0.56) CYP2C19POLBBLMATMACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 WO 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 (2 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-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CYP2C19 3816/4885POLB 3431/4885BLM 1159/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CYP2C19 3816/4885POLB 3431/4885BLM 1159/4885

“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.