SCHEMBL5869080

SCHEMBL5869080

Cc1ccc(-c2cccc(CC(NC(CC(C)C)C(=O)O)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
MME P08473 4/20 0.49
ACE P12821 3/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
PTGS2 P35354 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
NTSR1 P30989 1/20 0.45
FFAR1 O14842 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGA2B P08514 1/20 0.44
ITGA5 P08648 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PSMB1 P20618 1/20 0.43

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
SCHEMBL5869624 1.00 FOLH1 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL5869626 1.00 FOLH1 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL5869380 0.88 MME (0.55) FOLH1MMEACECPA1ACE2
SCHEMBL5869343 0.88 MME (0.55) FOLH1MMEACECPA1ACE2
SCHEMBL5869386 0.88 MME (0.55) FOLH1MMEACECPA1ACE2
SCHEMBL5869552 0.86 FOLH1 (0.51) FOLH1MMEACEALDH1A1
SCHEMBL5869562 0.86 FOLH1 (0.51) FOLH1MMEACEALDH1A1
SCHEMBL5869546 0.86 FOLH1 (0.51) FOLH1MMEACEALDH1A1
SCHEMBL8256178 0.84 ACE2 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL5869346 0.84 ACE2 (0.52) 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 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 FOLH1 229/4885MME 11/4885ACE 1/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR FOLH1 357/4885MME 44/4885ACE 1/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR FOLH1 357/4885MME 44/4885ACE 1/4885

“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.