SCHEMBL5869746

SCHEMBL5869746

CC(C)CC(NC(Cc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
EPHX2 P34913 6/20 0.44
PPARA Q07869 2/20 0.44
FOLH1 Q04609 1/20 0.44
AURKA O14965 1/20 0.42
CTSL P07711 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CA2 P00918 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
ANPEP P15144 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 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
SCHEMBL8249631 1.00 PPARG (0.45) PPARGEPHX2PPARAFOLH1AURKA
SCHEMBL8254938 0.86 PPARG (0.60) PPARGEPHX2PPARALMNAMMP1
SCHEMBL5869785 0.86 PPARG (0.60) PPARGEPHX2PPARALMNAMMP1
SCHEMBL5869867 0.81 FOLH1 (0.48) FOLH1MMP9
SCHEMBL5869771 0.81 FOLH1 (0.48) FOLH1MMP9
SCHEMBL5869763 0.81 FOLH1 (0.48) FOLH1MMP9
SCHEMBL7421300 0.80 RAB9A (0.40) PPARGEPHX2AURKACTSLALDH1A1
SCHEMBL5869789 0.79 FOLH1 (0.44) FOLH1LMNA
SCHEMBL8249892 0.79 FOLH1 (0.44) FOLH1LMNA
SCHEMBL5870545 0.78 FOLH1 (0.54) FOLH1ALDH1A1LMNACA2

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 9 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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 PPARG 393/4885EPHX2 388/4885PPARA 540/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR PPARG 476/4885EPHX2 433/4885PPARA 408/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR PPARG 476/4885EPHX2 433/4885PPARA 408/4885

“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.