SCHEMBL5869714

SCHEMBL5869714

CC(C)CC(NC(Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
FOLH1 Q04609 2/20 0.46
ACE P12821 4/20 0.45
MME P08473 4/20 0.45
CPA1 P15085 3/20 0.45
ACE2 Q9BYF1 3/20 0.45
MMP1 P03956 1/20 0.42
GPR34 Q9UPC5 2/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL8249538 1.00 ALDH1A1 (0.47) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL5869444 0.91 FOLH1 (0.49) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL8250246 0.91 FOLH1 (0.49) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL8256203 0.86 MME (0.58) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL8254444 0.86 MME (0.58) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL5870045 0.86 MME (0.58) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL8249618 0.86 ACE2 (0.51) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL5870524 0.86 ACE2 (0.51) ALDH1A1FOLH1ACEMMECPA1
SCHEMBL5869225 0.81 CTSK (0.45) GPR34PPARDPPARA
SCHEMBL5869221 0.81 CTSK (0.45) GPR34PPARDPPARA

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
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

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 229/4885ACE 1/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ALDH1A1 375/4885FOLH1 357/4885ACE 1/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ALDH1A1 375/4885FOLH1 357/4885ACE 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.