SCHEMBL3532138

SCHEMBL3532138

O=C(c1cc(F)cc(Cl)c1)[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GRM4 Q14833 1/20 0.40
CACNA1H O95180 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MGLL Q99685 1/20 0.36
CPT2 P23786 2/20 0.35
CPT1A P50416 2/20 0.35
ACKR3 P25106 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 3/20 0.35
PDE2A O00408 1/20 0.35
CNR1 P21554 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
SCHEMBL3532143 1.00 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2GRM4CACNA1H
SCHEMBL20482159 0.86 THRB (0.43) THRBALOX12KMT2A
SCHEMBL20482718 0.86 THRB (0.43) THRBALOX12KMT2A
SCHEMBL3524033 0.82 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2CACNA1HCACNA1G
SCHEMBL3524038 0.82 ALDH1A1 (0.47) TAS1R3TAS1R1TAS1R2CACNA1HCACNA1G
SCHEMBL5339926 0.80 TDP1 (0.48) GRM5HSD11B1
SCHEMBL10132433 0.78 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2CACNA1HCACNA1G
SCHEMBL20482089 0.76 CES2 (0.39) THRBALOX12KMT2AHSD11B1
SCHEMBL18577081 0.75 MGLL (0.48) MGLLALOX12KMT2A
SCHEMBL18577083 0.75 MGLL (0.48) MGLLALOX12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 TAS1R3 2109/4885TAS1R1 1168/4885TAS1R2 2178/4885

“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.