SCHEMBL6834243

SCHEMBL6834243

CCCC(NC(Cc1cncn1Cc1ccc(Br)cc1)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.57
ACE P12821 3/20 0.57
CYP11B1 P15538 9/20 0.53
CYP11B2 P19099 9/20 0.53
PKM P14618 1/20 0.43
FPR2 P25090 1/20 0.42
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39

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
SCHEMBL5870580 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL5870574 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL5869482 0.87 ACE2 (0.74) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL7222176 0.85 ACE2 (0.77) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8258457 0.85 ACE2 (0.67) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL8249070 0.84 ACE (0.58) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869812 0.84 ACE (0.58) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869936 0.83 ACE2 (0.59) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8248307 0.81 ACE2 (0.62) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL7222649 0.81 ACE2 (0.62) ACE2ACECYP11B1CYP11B2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.