SCHEMBL5870179

SCHEMBL5870179

Cc1cc(C)cc(COc2ccc(CC(NC(CC(C)C)C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
FOLH1 Q04609 1/20 0.48
PARP10 Q53GL7 1/20 0.48
MME P08473 4/20 0.47
ACE P12821 4/20 0.47
CPA1 P15085 4/20 0.47
ACE2 Q9BYF1 4/20 0.47
PPARG P37231 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
GPR34 Q9UPC5 1/20 0.46
FFAR1 O14842 1/20 0.46
TACR1 P25103 1/20 0.45

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
SCHEMBL5870561 1.00 ALDH1A1 (0.49) ALDH1A1FOLH1PARP10MMEACE
SCHEMBL8255762 0.88 MME (0.53) FOLH1MMEACECPA1ACE2
SCHEMBL5869314 0.88 MME (0.53) FOLH1MMEACECPA1ACE2
SCHEMBL5870263 0.87 ACE2 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL7425898 0.87 ACE2 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL5869463 0.87 ACE2 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL5869748 0.87 PPARG (0.61) MMEACECPA1ACE2PPARG
SCHEMBL5869752 0.87 PPARG (0.61) MMEACECPA1ACE2PPARG
SCHEMBL5869558 0.87 PPARG (0.61) MMEACECPA1ACE2PPARG
SCHEMBL5869597 0.84 MAOB (0.56) FOLH1MMEACECPA1ACE2

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 10 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 ALDH1A1 1305/4885FOLH1 229/4885PARP10 2857/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ALDH1A1 375/4885FOLH1 357/4885PARP10 2537/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ALDH1A1 375/4885FOLH1 357/4885PARP10 2537/4885

“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.