SCHEMBL1690993

SCHEMBL1690993

CC(C)CC(NC(Cc1csc(-c2ccccc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CTSK P43235 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.46
SHMT1 P34896 3/20 0.46
SHMT2 P34897 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL8249164 1.00 KDM4E (0.50) KDM4ECTSKALDH1A1GAAHSD17B10
SCHEMBL5869680 0.93 CTSK (0.43) KDM4ECTSKALDH1A1GAAHSD17B10
SCHEMBL8248710 0.93 CTSK (0.43) KDM4ECTSKALDH1A1GAAHSD17B10
SCHEMBL6925810 0.92 ALDH1A1 (0.46) KDM4ECTSKALDH1A1SHMT1SHMT2
SCHEMBL5869648 0.92 ALDH1A1 (0.46) KDM4ECTSKALDH1A1SHMT1SHMT2
SCHEMBL5869664 0.92 ALDH1A1 (0.46) KDM4ECTSKALDH1A1SHMT1SHMT2
SCHEMBL5869659 0.92 ALDH1A1 (0.46) KDM4ECTSKALDH1A1SHMT1SHMT2
SCHEMBL5870340 0.90 MAPT (0.47) KDM4ECTSKALDH1A1GAAHSD17B10
SCHEMBL8256297 0.90 MAPT (0.47) KDM4ECTSKALDH1A1GAAHSD17B10
SCHEMBL5870037 0.90 MAPT (0.47) KDM4ECTSKALDH1A1GAAHSD17B10

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 25 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
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
EP-2059234-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT Ore Pharmaceuticals Inc. (US) 2009-05-20 EP 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
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-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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO 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 KDM4E 4504/4885CTSK 52/4885ALDH1A1 2641/4885
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 KDM4E 2662/4885CTSK 541/4885ALDH1A1 1305/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR KDM4E 3071/4885CTSK 166/4885ALDH1A1 375/4885
US-20120009183-A1 METHOD FOR TREATMENT OF PANCREATITIS AMY2A, PNLIP, ACE KDM4E 4504/4885CTSK 52/4885ALDH1A1 2641/4885
US-20080234345-A1 METHOD FOR REDUCING OR ALLEVIATING INFLAMMATION IN THE DIGESTIVE TRACT ACE, ACE2, CTRB2 KDM4E 4209/4885CTSK 82/4885ALDH1A1 957/4885
US-20100204286-A1 METHOD FOR REDUCING GASTROINTESTINAL ADVERSE EFFECTS OF CYTOTOXIC AGENTS ACE2, ACE, ACER2 KDM4E 4178/4885CTSK 996/4885ALDH1A1 176/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR KDM4E 3071/4885CTSK 166/4885ALDH1A1 375/4885

“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.