SCHEMBL2715883

SCHEMBL2715883

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.37
LIPE Q05469 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7229706 1.00 POLB (0.42) POLBALDH1A1TSHRLMNAKDM4E
SCHEMBL10610305 0.83 GPR119 (0.36) ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL7244851 0.81 POLB (0.46) POLBALDH1A1TSHRLMNAKMT2A
SCHEMBL7250534 0.81 POLB (0.46) POLBALDH1A1TSHRLMNAKMT2A
SCHEMBL9382586 0.80 SMN1; SMN2 (0.41) ALDH1A1TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL642839 0.80 SMN1; SMN2 (0.41) ALDH1A1TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL3674574 0.79 USP30 (0.38)
SCHEMBL7473661 0.79 TSHR (0.45) POLBALDH1A1TSHRLMNAKMT2A
SCHEMBL7277310 0.79 SLC7A5 (0.33) KMT2AGAAMEN1
SCHEMBL7452676 0.79 TSHR (0.45) POLBALDH1A1TSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-10150794-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2018-12-11 US disclosed
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2017-09-14 US disclosed
EP-2623113-B1 Compound for enzyme inhibition ONYX THERAPEUTICS INC (US) 2017-05-31 EP disclosed
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS ALEXION PHARMACEUTICALS, INC. 2016-11-03 US disclosed
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
US-9359375-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
WO-2007056464-A1 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2007-05-18 WO disclosed
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-05-10 US disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
US-6626982-B1 Adsorbing chemical samples onto inert carriers to form highly stable free-flowing solid for long term storage in, for example, a proprietary compound collection ASTRAZENECA AB (SE) 2003-09-30 US disclosed
US-6281235-B1 CONTROL OF HYPERTENSION. G.D. SEARLE & CO. 2001-08-28 US disclosed
US-5849773-A Amino acyl amino propargyl diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1998-12-15 US disclosed
US-5508295-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5330996-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-07-19 US disclosed
WO-1993009108-A1 AMINO ACYL AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 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 (6 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 POLB 4138/4885ALDH1A1 2381/4885TSHR 1711/4885
US-20160318852-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS SYK, BTK, NADK POLB 3714/4885ALDH1A1 1312/4885TSHR 4257/4885
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, PSMB1, PSMB3 POLB 729/4885ALDH1A1 3650/4885TSHR 2821/4885
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 POLB 440/4885ALDH1A1 3164/4885TSHR 2901/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 POLB 3866/4885ALDH1A1 1908/4885TSHR 1362/4885
US-10150794-B2 Compounds for enzyme inhibition ANPEP, HPN, DNPEP POLB 620/4885ALDH1A1 3041/4885TSHR 3077/4885

“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.