SCHEMBL4607795

SCHEMBL4607795

CC(=Cc1ccc(Br)s1)C(=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
TBXAS1 P24557 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
AKR1C3 P42330 1/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TNFRSF1A P19438 1/20 0.36
MEN1 O00255 2/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL4607793 1.00 DAO (0.41) DAOLMNAMAPTRAB9ATBXAS1
SCHEMBL4707026 0.81 DAO (0.40) DAOLMNAMAPTRAB9ATBXAS1
SCHEMBL4707030 0.81 DAO (0.40) DAOLMNAMAPTRAB9ATBXAS1
SCHEMBL8306509 0.79 DAO (0.45) DAOLMNAMAPTRAB9ACES2
SCHEMBL8306508 0.79 DAO (0.45) DAOLMNAMAPTRAB9ACES2
SCHEMBL8045628 0.78 ALDH1A1 (0.41) DAOLMNAMAPTRAB9ACES2
SCHEMBL1680441 0.77 TNFRSF1A (0.38) DAOLMNAMAPTRAB9ACES2
Acetic Acid SCHEMBL21062106 0.76 DAO (0.36) DAOLMNAMAPTRAB9ATBXAS1
Acetic Acid SCHEMBL21062108 0.76 DAO (0.36) DAOLMNAMAPTRAB9ATBXAS1
SCHEMBL2863130 0.72 LMNA (0.59) LMNAMAPTALDH1A1KMT2AKDM4E

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
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1917247-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-07 EP disclosed
US-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-29 US disclosed
WO-2007009689-A1 4,5-DIHYDR0-1H-PYRAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-01-25 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-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments P2RX4, PIR, P2RY4 DAO 2011/4885LMNA 1709/4885MAPT 1973/4885

“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.