SCHEMBL6544287

SCHEMBL6544287

CCOC(=O)C(=O)C(C)C(O)c1ccc(Br)cc1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.47
S1PR4 O95977 1/20 0.47
LMNA P02545 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KYAT1 Q16773 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CES2 O00748 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 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
SCHEMBL12191319 0.84 SMN1; SMN2 (0.46) MEN1KMT2AMAPTLMNAGAA
SCHEMBL15392340 0.82 NPSR1 (0.47) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL4600612 0.78 L3MBTL1 (0.58) LMNAALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL20564825 0.76 KMT2A (0.45) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL4718293 0.76 MAPT (0.45) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL30558126 0.75 KMT2A (0.51) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL9451702 0.73 KMT2A (0.47) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL31376540 0.73 MAPT (0.42) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL15918195 0.73 CASP1 (0.54) MEN1KMT2AMAPTS1PR4LMNA
SCHEMBL2117704 0.73 KMT2A (0.49) MEN1KMT2AMAPTS1PR4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 US disclosed
US-6645985-B2 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them, and method of treating SANOFI (FR) 2003-11-11 US disclosed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US disclosed
US-6432984-B1 CANNABINOID RECEPTOR ANTAGONISTS; TREATMENT OF OBESITY, DRUG ADDICTION, ALCHOLISM, PSYCHOLOGICAL, AND EATING DISORDERS SANOFI-SYNTHELABO (FR) 2002-08-13 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 (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-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 MEN1 4556/4885KMT2A 3608/4885MAPT 2003/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 MEN1 4556/4885KMT2A 3608/4885MAPT 2003/4885

“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.