SCHEMBL5870069

SCHEMBL5870069

CC(C)CC(NC(Cc1nc(CCC2CCCCC2)cs1)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.37
BCHE P06276 1/20 0.35
REN P00797 8/20 0.35
ACE2 Q9BYF1 4/20 0.33
ACE P12821 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
PSMB10 P40306 1/20 0.32
PSMB2 P49721 1/20 0.32

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
SCHEMBL8255438 1.00 ADRB3 (0.37) ADRB3BCHERENACE2ACE
SCHEMBL5869650 0.92 REN (0.36) ADRB3BCHERENACE2ACE
SCHEMBL8248393 0.92 REN (0.36) ADRB3BCHERENACE2ACE
SCHEMBL8430006 0.89 ADRB3 (0.36) ADRB3BCHERENACESMN1; SMN2
SCHEMBL8430592 0.82 REN (0.34) ADRB3BCHERENACESMN1; SMN2
SCHEMBL5869917 0.80 NPPA (0.42) BCHERENACE2ACEGRN
SCHEMBL8255171 0.80 NPPA (0.42) BCHERENACE2ACEGRN
SCHEMBL7420461 0.79 BCHE (0.37) ADRB3BCHERENSMN1; SMN2MAPK1
SCHEMBL8249944 0.78 NPPA (0.40) BCHERENACE2ACESMN1; SMN2
SCHEMBL5869416 0.78 NPPA (0.40) BCHERENACE2ACESMN1; SMN2

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 ADRB3 102/4885BCHE 146/4885REN 7/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ADRB3 734/4885BCHE 256/4885REN 13/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ADRB3 734/4885BCHE 256/4885REN 13/4885

“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.