SCHEMBL5870455

SCHEMBL5870455

COC(=O)C(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)NC(CC(C)C)C(=O)OC

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.78
ACE P12821 3/20 0.78
CYP11B1 P15538 8/20 0.44
CYP11B2 P19099 8/20 0.44
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
GRN P28799 3/20 0.36
SORT1 Q99523 3/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ANPEP P15144 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
SCHEMBL8258361 1.00 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8255539 0.95 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870269 0.95 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869843 0.95 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870265 0.95 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL12040382 0.95 ACE2 (0.87) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869661 0.92 ACE2 (0.75) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8258846 0.92 ACE2 (0.75) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8255987 0.91 ACE2 (0.68) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870012 0.91 ACE2 (0.68) ACE2ACECYP11B1CYP11B2FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 (3 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ACE2 2/4885ACE 1/4885CYP11B1 256/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885

“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.