SCHEMBL1690980

SCHEMBL1690980

CC(C)CC(NC(Cc1cncn1CCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.63
ACE P12821 3/20 0.63
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MME P08473 3/20 0.42
PLK1 P53350 2/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
LTA4H P09960 1/20 0.41
MMP3 P08254 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40

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
SCHEMBL8248341 1.00 ACE2 (0.63) ACE2ACECYP11B1CYP11B2MME
SCHEMBL8248569 0.89 ACE2 (0.78) ACE2ACECYP11B1CYP11B2MME
SCHEMBL5870208 0.89 ACE2 (0.78) ACE2ACECYP11B1CYP11B2MME
SCHEMBL1658524 0.84 ACE2 (0.60) ACE2ACECYP11B1CYP11B2MME
SCHEMBL8249276 0.84 ACE2 (0.60) ACE2ACECYP11B1CYP11B2MME
SCHEMBL1660431 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2
SCHEMBL8249140 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2
SCHEMBL8253975 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2MME
SCHEMBL5870232 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2MME
SCHEMBL1690913 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2MME

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 20 patents. 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
US-20100204286-A1 METHOD FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICAL, INC. 2010-08-12 US claimed
US-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-07-23 US claimed
US-20080234345-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT GENE LOGIC INC. (US) 2008-09-25 US 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
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-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2012-01-12 US disclosed
US-20100204286-A1 METHOD FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ORE PHARMACEUTICAL, INC. 2010-08-12 US disclosed
US-20100035848-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ORE PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20090186014-A1 METHOD FOR TREATMENT OF PANCREATITIS ORE PHARMACEUTICALS INC. (US) 2009-07-23 US disclosed
EP-2059234-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2009-05-20 EP disclosed
US-20080234345-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT GENE LOGIC INC. (US) 2008-09-25 US disclosed
WO-2008031014-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT ORE PHARMACEUTICALS INC. (US) 2008-03-13 WO 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 (8 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-20100035848-A1 THERAPY FOR DISORDERS OF THE PROXIMAL DIGESTIVE TRACT ACE2, PRSS2, ACE ACE2 1/4885ACE 3/4885CYP11B1 3051/4885
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-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885
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.