SCHEMBL22491222

SCHEMBL22491222

CC(C)CC(NC(Cn1ccn(Cc2cc(F)cc(F)c2)c1=O)C(=O)O)C(=O)OC(=O)C(CC(C)C)NC(Cn1ccn(Cc2cc(Cl)cc(Cl)c2)c1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.48
ACE P12821 3/20 0.48
GRN P28799 4/20 0.40
SORT1 Q99523 4/20 0.40
P2RX7 Q99572 6/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.31
WDR5 P61964 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22491218 0.93 ACE2 (0.54) ACE2ACEGRNSORT1P2RX7
SCHEMBL5869535 0.87 ACE2 (0.60) ACE2ACEGRNSORT1MMP1
SCHEMBL5869742 0.87 ACE2 (0.60) ACE2ACEGRNSORT1MMP1
SCHEMBL5869750 0.87 ACE2 (0.60) ACE2ACEGRNSORT1MMP1
SCHEMBL5869313 0.87 ACE2 (0.44) ACE2ACEGRNSORT1MMP1
SCHEMBL8250105 0.87 ACE2 (0.44) ACE2ACEGRNSORT1MMP1
SCHEMBL5869981 0.79 ACE2 (0.42) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5869972 0.79 ACE2 (0.42) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5869974 0.79 ACE2 (0.42) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5869767 0.78 MMP1 (0.47) ACE2ACEMMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-05-24 US disclosed
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2020-11-19 US disclosed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP 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 (2 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-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885GRN 1444/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885GRN 1444/4885

“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.