SCHEMBL7044783

SCHEMBL7044783

COc1ccc2c(c1)C[C@@H](C(=O)O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSPA1A P0DMV8 1/20 0.45
PTPN7 P35236 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALPL P05186 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL4365304 1.00 GAA (0.55) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL7037302 1.00 GAA (0.55) GAAMAPTHSD17B10ALDH1A1TP53
Hydrochloric Acid SCHEMBL10910510 0.98 GAA (0.54) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL3241271 0.89 GAA (0.57) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL5567814 0.87 ALDH1A1 (0.44) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL1760643 0.87 ALDH1A1 (0.44) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL7286562 0.87 ALDH1A1 (0.44) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL1760501 0.87 HSD17B10 (0.44) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL20229669 0.85 ALDH1A1 (0.43) GAAMAPTHSD17B10ALDH1A1TP53
SCHEMBL13952758 0.85 MAPT (0.46) GAAMAPTHSD17B10ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 GAA 67/4885MAPT 3444/4885HSD17B10 642/4885

“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.