SCHEMBL4824666

SCHEMBL4824666

O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
GPR34 Q9UPC5 1/20 0.42
ACE P12821 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 3/20 0.40
PARP14 Q460N5 1/20 0.40
GGPS1 O95749 1/20 0.40
PPARG P37231 3/20 0.39
GPR52 Q9Y2T5 2/20 0.39
C3AR1 Q16581 1/20 0.39
BACE1 P56817 1/20 0.39
SLC10A1 Q14973 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR3 P32745 1/20 0.39
KIFC1 Q9BW19 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NCOA2 Q15596 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
SCHEMBL4824661 1.00 TDP1 (0.46) TDP1GPR34ACEMAPTMEN1
SCHEMBL4816469 0.88 TDP1 (0.54) TDP1GPR34ACEPPARAGGPS1
SCHEMBL3862107 0.88 TDP1 (0.54) TDP1GPR34ACEPPARAGGPS1
SCHEMBL4821230 0.85 ICMT (0.42) TDP1ACEPPARAGGPS1PPARG
SCHEMBL3871838 0.85 ICMT (0.42) TDP1ACEPPARAGGPS1PPARG
SCHEMBL3871897 0.85 ICMT (0.42) TDP1ACEPPARAGGPS1PPARG
SCHEMBL3869659 0.85 ICMT (0.42) TDP1ACEPPARAGGPS1PPARG
SCHEMBL3869501 0.84 ACE (0.47) TDP1ACEPPARAGGPS1PPARG
SCHEMBL4823549 0.84 ACE (0.47) TDP1ACEPPARAGGPS1PPARG
SCHEMBL4819769 0.84 ACE (0.43) TDP1ACEPPARAGGPS1PPARG

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-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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 (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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO TDP1 744/4885GPR34 2278/4885ACE 1006/4885

“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.