SCHEMBL22654352

SCHEMBL22654352

CC(C)CC(NC(Cc1cccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O)C(=O)OC(=O)C(CC(C)C)NC(Cc1ccn(-c2ccccc2)n1)C(=O)O.CC(C)CC(NC(Cn1ccn(Cc2cccc(Cl)c2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.32
ACE P12821 3/20 0.32
MC4R P32245 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
CDC25B P30305 1/20 0.30
GPR132 Q9UNW8 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL22654353 0.97 ACE2 (0.33) ACE2ACEMC4RSMN1; SMN2LMNA
SCHEMBL7479690 0.85 ACE2 (0.40) ACE2ACEMAPT
SCHEMBL7479675 0.82 ACE2 (0.45) ACE2ACEMAPT
SCHEMBL5870447 0.77 TP53 (0.46) ACE2ACEMC4RGPR132
SCHEMBL8255778 0.72 TP53 (0.44) ACE2ACEMC4RPTPN1GPR132
SCHEMBL5869646 0.71 ACE2 (0.48) ACE2ACEMAPT
SCHEMBL5869636 0.71 ACE2 (0.48) ACE2ACEMAPT
SCHEMBL5869641 0.71 ACE2 (0.48) ACE2ACEMAPT
SCHEMBL5870499 0.68 NR4A2 (0.53) ACE2ACEGPR132
SCHEMBL5870305 0.68 NR4A2 (0.53) ACE2ACEGPR132

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-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

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 1/4885MC4R 174/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885MC4R 174/4885

“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.