SCHEMBL4780465

SCHEMBL4780465

Cc1cc(OC(=O)Cl)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
ACHE P22303 2/20 0.38
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CHEK2 O96017 2/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
MMP13 P45452 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
SCHEMBL3879835 0.85 MRGPRX4 (0.44) L3MBTL1TDP1NPC1ACHERAB9A
SCHEMBL9929012 0.83 ACHE (0.54) TDP1ACHEALDH1A1MAPTPOLB
SCHEMBL3833650 0.82 L3MBTL1 (0.53) L3MBTL1TDP1NPC1ACHERAB9A
SCHEMBL4805336 0.82 CES2 (0.43) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL31126239 0.82 CES2 (0.43) NPC1RAB9AMAPTHTTSMN1; SMN2
SCHEMBL28621964 0.81 KMT2A (0.52) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL17355743 0.80 RAB9A (0.42) HTR2ASLC6A4KCNH2TDP1NPC1
SCHEMBL17355718 0.79 ELANE (0.38) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL17355713 0.79 ELANE (0.51) HTR2ASLC6A4KCNH2L3MBTL1TDP1
SCHEMBL17355711 0.79 ACHE (0.58) L3MBTL1TDP1NPC1ACHERAB9A

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
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 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-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD GPR119, LIPC, CEL HTR2A 3025/4885SLC6A4 1901/4885KCNH2 1787/4885

“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.