SCHEMBL7038705

SCHEMBL7038705

CCN(C(=O)OCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTR2C P28335 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7043248 0.91 GAA (0.47) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL7038649 0.89 GAA (0.45) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL7036800 0.86 MAPT (0.51) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL13889275 0.79 GAA (0.60) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL14018477 0.79 GAA (0.60) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL3899815 0.79 GAA (0.60) GAAMAPTBRD4CREBBPALDH1A1
Hydrochloric Acid SCHEMBL8041147 0.78 GAA (0.59) GAAMAPTBRD4CREBBPALDH1A1
SCHEMBL15479668 0.75 ALDH1A1 (0.58) MAPTALDH1A1TSHRSIGMAR1NPC1
SCHEMBL7045156 0.74 KMT2A (0.44) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL27941932 0.72 GAA (0.55) GAAMAPTBRD4CREBBPALDH1A1

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 3444/4885BRD4 2970/4885

“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.