SCHEMBL840276

SCHEMBL840276

CC(=O)c1ccc(C(=O)O)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.51
AKR1C2 P52895 16/20 0.51
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
AKR1C4 P17516 2/20 0.51
AKR1C1 Q04828 2/20 0.51
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TTR P02766 1/20 0.42

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
SCHEMBL71015 0.85 TTR (0.52) AKR1C3LCKFYNTTR
SCHEMBL30162908 0.85 TTR (0.52) AKR1C3LCKFYNTTR
SCHEMBL27958984 0.84 AKR1C3 (0.55) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2447213 0.84 TTR (0.47) AKR1C3AKR1C2AKR1C4AKR1C1NPC1
Hydrochloric Acid SCHEMBL28568371 0.83 KDM4E (0.50) AKR1C3LCKFYNTTR
Hydrochloric Acid SCHEMBL7704938 0.83 KDM4E (0.50) AKR1C3LCKFYNTTR
SCHEMBL28743014 0.82 CYP1A2 (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL7823608 0.81 CDC25A (0.59) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL9016382 0.81 MYC (0.49) LCKFYNSMN1; SMN2TTR
SCHEMBL15855843 0.80 PARP1 (0.47) AKR1C3LCKFYNSMN1; SMN2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103864702-A Method for preparing quinazolinone in water phase through microwave catalysis UNIV FUJIAN MEDICAL 2014-06-18 CN disclosed
CN-103819414-A Method for preparing quinazolone compound by catalysis in water phase UNIV FUJIAN MEDICAL 2014-05-28 CN disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
CN-101687797-A Malonamide derivatives with antithrombotic activity SANOFI AVENTIS 2010-03-31 CN disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI AKR1C3 628/4885AKR1C2 451/4885AKR1B10 717/4885

“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.