SCHEMBL1658960

SCHEMBL1658960

CC(C)CC(NC(Cc1cncn1Cc1ccc(Cl)cc1)C(=O)O)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.82
ACE P12821 3/20 0.82
CYP11B1 P15538 9/20 0.52
CYP11B2 P19099 9/20 0.52
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL8249359 1.00 ACE2 (0.82) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1690920 0.93 ACE2 (0.77) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL8249407 0.93 ACE2 (0.77) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL1690702 0.91 ACE2 (0.76) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL8249920 0.91 ACE2 (0.76) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL8248569 0.91 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5870208 0.91 ACE2 (0.78) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5681866 0.90 ACE2 (0.74) ACE2ACECYP11B1CYP11B2ALDH1A1
Ore-1001 SCHEMBL1691048 0.90 ACE2 (1.00) ACE2ACECYP11B1CYP11B2ALDH1A1
SCHEMBL5870244 0.90 ACE2 (0.74) ACE2ACECYP11B1CYP11B2ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2012-01-12 US claimed
JP-2011513491-A 2011-04-28 JP claimed
EP-2262491-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2010-12-22 EP claimed
US-20100204286-A1 METHOD FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICAL, INC. 2010-08-12 US claimed
WO-2009114516-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2009-09-17 WO claimed
US-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-07-23 US claimed
EP-2059234-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2009-05-20 EP claimed
WO-2009049022-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-04-16 WO claimed
US-20080234345-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT GENE LOGIC INC. (US) 2008-09-25 US claimed
WO-2008031014-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2008-03-13 WO claimed
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-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US claimed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 WO claimed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
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-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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 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 (7 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-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS AMY2A, PNLIP, ACE ACE2 6/4885ACE 3/4885CYP11B1 2817/4885
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ACE2 2/4885ACE 1/4885CYP11B1 256/4885
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION ACE2, ACE, TMPRSS2 ACE2 1/4885ACE 2/4885CYP11B1 3069/4885
US-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS AMY2A, PNLIP, ACE ACE2 6/4885ACE 3/4885CYP11B1 2817/4885
US-20080234345-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT ACE, ACE2, CTRB2 ACE2 2/4885ACE 1/4885CYP11B1 839/4885
US-20100204286-A1 METHOD FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ACE2, ACE, ACER2 ACE2 1/4885ACE 2/4885CYP11B1 655/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885

“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.