SCHEMBL5869935

SCHEMBL5869935

CC(C)CC(NC(Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.52
SORT1 Q99523 4/20 0.52
ACE2 Q9BYF1 4/20 0.49
ACE P12821 3/20 0.49
MAPK1 P28482 1/20 0.46
FOLH1 Q04609 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA2 P00918 2/20 0.42
MMP9 P14780 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL8249603 1.00 GRN (0.52) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869961 0.87 LMNA (0.52) GRNSORT1FOLH1LMNAGAA
SCHEMBL8255226 0.87 LMNA (0.52) GRNSORT1FOLH1LMNAGAA
SCHEMBL8255930 0.86 MMP9 (0.52) ACE2ACEFOLH1MMP9
SCHEMBL5870587 0.86 MMP9 (0.52) ACE2ACEFOLH1MMP9
SCHEMBL5869645 0.82 ACE2 (0.54) GRNSORT1ACE2ACEFOLH1
SCHEMBL5869640 0.82 ACE2 (0.54) GRNSORT1ACE2ACEFOLH1
SCHEMBL5869637 0.82 ACE2 (0.54) GRNSORT1ACE2ACEFOLH1
SCHEMBL5869804 0.82 ACE2 (0.56) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869799 0.82 ACE2 (0.56) GRNSORT1ACE2ACEMAPK1

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 7 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

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 GRN 3026/4885SORT1 3962/4885ACE2 2/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR GRN 1444/4885SORT1 2001/4885ACE2 2/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR GRN 1444/4885SORT1 2001/4885ACE2 2/4885

“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.