Sugi Predict

Sugi Predict / Compounds / SCHEMBL5870071

SCHEMBL5870071

SCHEMBL5870071

CC(C)CC(NC(Cc1ccc(-c2ccncc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 9/20 0.53
▸ ACE P12821 9/20 0.53
▸ MME P08473 8/20 0.53
▸ CPA1 P15085 4/20 0.53
▸ FOLH1 Q04609 1/20 0.51
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 2/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47

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
SCHEMBL5870063 1.00 ACE2 (0.53) ACE2ACEMMECPA1FOLH1
SCHEMBL5870067 1.00 ACE2 (0.53) ACE2ACEMMECPA1FOLH1
SCHEMBL8248574 0.89 MME (0.65) ACE2ACEMMECPA1FOLH1
SCHEMBL5870206 0.87 ACE2 (0.52) ACE2ACEMMECPA1FOLH1
SCHEMBL5869391 0.87 ACE2 (0.52) ACE2ACEMMECPA1FOLH1
SCHEMBL5870202 0.87 ACE2 (0.52) ACE2ACEMMECPA1FOLH1
SCHEMBL5869343 0.86 MME (0.55) ACE2ACEMMECPA1FOLH1
SCHEMBL5869380 0.86 MME (0.55) ACE2ACEMMECPA1FOLH1
SCHEMBL5869386 0.86 MME (0.55) ACE2ACEMMECPA1FOLH1
SCHEMBL5869450 0.85 MME (0.54) ACE2ACEMMECPA1FOLH1

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 ACE2 2/4885ACE 1/4885MME 11/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885MME 44/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885MME 44/4885

“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.