SCHEMBL5869597

SCHEMBL5869597

CC(C)CC(NC(Cc1ccc(OCc2ccncc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
GPR132 Q9UNW8 3/20 0.51
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MME P08473 3/20 0.49
ACE P12821 3/20 0.49
CPA1 P15085 3/20 0.49
ACE2 Q9BYF1 3/20 0.49
PPARG P37231 5/20 0.49
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
FOLH1 Q04609 1/20 0.48
PPARA Q07869 1/20 0.46
GPR34 Q9UPC5 1/20 0.46

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
SCHEMBL5869915 1.00 MAOB (0.56) MAOBGPR132CTSLCTSSCTSK
SCHEMBL5869558 0.89 PPARG (0.61) MAOBMMEACECPA1ACE2
SCHEMBL5869752 0.89 PPARG (0.61) MAOBMMEACECPA1ACE2
SCHEMBL5869748 0.89 PPARG (0.61) MAOBMMEACECPA1ACE2
SCHEMBL5870163 0.87 GPR132 (0.64) GPR132PPARGADAMTS4MMP13
SCHEMBL5869757 0.87 GPR132 (0.60) GPR132CTSLCTSSCTSKMME
SCHEMBL5869845 0.87 GPR132 (0.64) GPR132PPARGADAMTS4MMP13
SCHEMBL7419505 0.87 GPR132 (0.64) GPR132PPARGADAMTS4MMP13
SCHEMBL5869635 0.87 GPR132 (0.60) GPR132CTSLCTSSCTSKMME
SCHEMBL7424688 0.87 GPR132 (0.60) GPR132CTSLCTSSCTSKMME

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 MAOB 153/4885GPR132 255/4885CTSL 911/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR MAOB 50/4885GPR132 1998/4885CTSL 346/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR MAOB 50/4885GPR132 1998/4885CTSL 346/4885

“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.