SCHEMBL5869867

SCHEMBL5869867

CC(C)CC(NC(Cc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.48
GRIA2 P42262 1/20 0.46
ITGB1 P05556 5/20 0.44
ITGA4 P13612 2/20 0.44
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGA2B P08514 3/20 0.43
ITGB5 P18084 3/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 2/20 0.42
FPR2 P25090 3/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 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
SCHEMBL5869763 1.00 FOLH1 (0.48) FOLH1GRIA2ITGB1ITGA4ITGB3
SCHEMBL5869771 1.00 FOLH1 (0.48) FOLH1GRIA2ITGB1ITGA4ITGB3
SCHEMBL5869809 0.84 RAB9A (0.42) GRIA2GRNSORT1NPC1RAB9A
SCHEMBL8256279 0.84 RAB9A (0.42) GRIA2GRNSORT1NPC1RAB9A
SCHEMBL8255930 0.83 MMP9 (0.52) FOLH1MMP9MEN1NPC1RAB9A
SCHEMBL5870587 0.83 MMP9 (0.52) FOLH1MMP9MEN1NPC1RAB9A
SCHEMBL8249631 0.81 PPARG (0.45) FOLH1MMP9
SCHEMBL5869746 0.81 PPARG (0.45) FOLH1MMP9
SCHEMBL5869961 0.81 LMNA (0.52) FOLH1ITGB3ITGAVMAPTMMP9
SCHEMBL8255226 0.81 LMNA (0.52) FOLH1ITGB3ITGAVMAPTMMP9

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 FOLH1 229/4885GRIA2 163/4885ITGB1 4493/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR FOLH1 357/4885GRIA2 1264/4885ITGB1 4273/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR FOLH1 357/4885GRIA2 1264/4885ITGB1 4273/4885

“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.