SCHEMBL3093344

SCHEMBL3093344

Cc1cc(C(=O)O)sc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.65
KDM4E B2RXH2 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 2/20 0.65
ALOX15 P16050 1/20 0.52
GPR35 Q9HC97 5/20 0.45
HCAR2 Q8TDS4 1/20 0.42
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL2L1 Q07817 1/20 0.39
HPGD P15428 1/20 0.39

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
Cyclopropane SCHEMBL11656570 0.94 DAO (0.59) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL16334956 0.87 DAO (0.50) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL12272115 0.84 MAPT (0.57) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL22860217 0.82 DAO (0.55) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL8779762 0.79 DAO (0.52) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL27882567 0.79 DAO (0.43) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL835069 0.79 DAO (1.00) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL5104631 0.79 PKM (0.52) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL22859920 0.77 DAO (0.49) DAOKDM4EMAPTMEN1ALDH1A1
SCHEMBL4968890 0.77 HPGD (0.45) KDM4EMAPTALDH1A1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236508-B1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON DICKINSON CO (US) 2015-08-26 EP disclosed
US-8431416-B2 Reactive heterocycle-substituted 7-hydroxycoumarins and their conjugates BECTON, DICKINSON AND COMPANY (US) 2013-04-30 US disclosed
US-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 US disclosed
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates BECTON, DICKINSON AND COMPANY (US) 2010-10-07 US disclosed
EP-2236508-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates Becton, Dickinson and Company (US) 2010-10-06 EP 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-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES CYP3A7, XPO7, HCCS DAO 2806/4885KDM4E 4529/4885MAPT 3939/4885
US-20100255504-A1 Reactive Heterocycle-Substituted 7-Hydroxycoumarins and Their Conjugates HLCS, CD44, HCCS DAO 1355/4885KDM4E 2828/4885MAPT 4387/4885

“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.