SCHEMBL7229706

SCHEMBL7229706

CC(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
SCHEMBL2715883 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 12 patents. 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
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 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-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP 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 (2 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-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 POLB 3866/4885ALDH1A1 1908/4885TSHR 1362/4885

“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.