SCHEMBL5869588

SCHEMBL5869588

Cc1ccnc(-c2ccc(CC(NC(CC(C)C)C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.49
ITGB1 P05556 9/20 0.49
ITGAV P06756 9/20 0.49
ITGA2B P08514 9/20 0.49
ITGA5 P08648 9/20 0.49
FOLH1 Q04609 2/20 0.44
ACE2 Q9BYF1 5/20 0.44
ACE P12821 4/20 0.44
MME P08473 2/20 0.44
CPA1 P15085 1/20 0.44
ITGB5 P18084 7/20 0.44
MEN1 O00255 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
SCHEMBL5869925 1.00 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5869929 1.00 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5869538 0.84 MME (0.54) FOLH1ACE2ACEMMECPA1
SCHEMBL5869540 0.84 MME (0.54) FOLH1ACE2ACEMMECPA1
SCHEMBL5869548 0.84 MME (0.54) FOLH1ACE2ACEMMECPA1
SCHEMBL5869347 0.83 ACE2 (0.47) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5869816 0.83 ACE2 (0.47) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5869824 0.83 ACE2 (0.47) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL5869386 0.81 MME (0.55) ITGB1FOLH1ACE2ACEMME
SCHEMBL5869343 0.81 MME (0.55) ITGB1FOLH1ACE2ACEMME

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 ITGB3 4401/4885ITGB1 4493/4885ITGAV 4297/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ITGB3 4387/4885ITGB1 4273/4885ITGAV 4163/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ITGB3 4387/4885ITGB1 4273/4885ITGAV 4163/4885

“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.