SCHEMBL6840142

SCHEMBL6840142

CC(C[CH]C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.49
MMP1 P03956 2/20 0.49
HPGDS O60760 4/20 0.45
PPARG P37231 1/20 0.45
ACE P12821 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CAPN1 P07384 1/20 0.45
CTSB P07858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL7344073 0.89 PPARG (0.62) PPARGACENPC1RAB9A
SCHEMBL7348064 0.83 CTSL (0.42) FCER2MMP1ACENPC1RAB9A
SCHEMBL7029937 0.83 SMN1; SMN2 (0.47) MMP1NPC1RAB9AALDH1A1CYP2C9
SCHEMBL7343130 0.83 CTSL (0.42) FCER2MMP1ACEALDH1A1THRB
SCHEMBL7020179 0.81 MMP2 (0.51) MMP1RAB9AMMP2MMP3MMP7
SCHEMBL7025425 0.80 HSPA5 (0.63) CYP2C9CYP2C19HSD17B10MMP2MMP3
SCHEMBL12354114 0.80 HPGDS (0.51) FCER2MMP1HPGDSPPARGCAPN1
SCHEMBL7340724 0.79 PPARG (0.43) FCER2MMP1PPARGCAPN1CTSB
SCHEMBL7337025 0.79 KLKB1 (0.52) PPARGACE
SCHEMBL7391206 0.79 LMNA (0.48) HPGDSALDH1A1

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-6753410-B2 ANALYZING THE PROCESSING OF AMYLOID PROTEIN PRECURSOR (APP); ALZHEIMER'S DISEASE; ENZYME INHIBITORS OF GAMMA-SECRETASE, A PROTEASE, AND INHIBITS PROTEOLYSIS OF PRESENILIN-1 ON WHICH THE SECRETASE ACTIVITY IS DEPENDENT MERCK & CO., INC. 2004-06-22 US disclosed
US-20020013276-A1 Investigational compounds MERCK & CO., INC. 2002-01-31 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-20020013276-A1 Investigational compounds CBR1, CBR3, CNR1 FCER2 1494/4885MMP1 4016/4885HPGDS 4381/4885

“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.