SCHEMBL5869394

SCHEMBL5869394

CC(C)CC(NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
CA2 P00918 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 2/20 0.46
BACE1 P56817 2/20 0.46
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
MME P08473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL8255216 0.88 FOLH1 (0.52) FOLH1ACEMMEALDH1A1CPA1
SCHEMBL4075519 0.82 ACE (0.47) CA2KMT2AMEN1ACEMAPT
SCHEMBL27703123 0.82 ACE (0.47) CA2KMT2AMEN1ACEMAPT
SCHEMBL5869992 0.81 FOLH1 (0.74) FOLH1ACEMMECPA1ACE2
SCHEMBL8248670 0.81 ACE2 (0.70) NPC1RAB9ASMN1; SMN2ACEMAPT
SCHEMBL13223715 0.81 CA2 (0.56) CA2KMT2AMEN1NPC1TP53
SCHEMBL5869469 0.81 FOLH1 (0.74) FOLH1ACEMMECPA1ACE2
SCHEMBL15092902 0.81 CA2 (0.56) CA2KMT2AMEN1NPC1TP53
SCHEMBL1225145 0.81 CA2 (0.56) CA2KMT2AMEN1NPC1TP53
SCHEMBL1690916 0.81 ACE2 (0.70) NPC1RAB9ASMN1; SMN2ACEMAPT

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 7 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
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 229/4885CA2 699/4885KMT2A 1880/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR FOLH1 357/4885CA2 670/4885KMT2A 940/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR FOLH1 357/4885CA2 670/4885KMT2A 940/4885

“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.