SCHEMBL894830

SCHEMBL894830

C=C1CCCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.34
RIPK1 Q13546 1/20 0.32
HPGD P15428 2/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL139222 0.86
SCHEMBL12517389 0.83 HSP90AA1 (0.38) DPP8HPGDALDH1A1
Formamide SCHEMBL27905692 0.78 DPP8 (0.40) DPP8
SCHEMBL136059 0.76
SCHEMBL217162 0.76 HSP90AA1 (0.34) RIPK1HPGDALDH1A1
SCHEMBL22469350 0.75 ALDH1A1 (0.34) HPGDALDH1A1
SCHEMBL22417655 0.72 MAPT (0.36) HPGDALDH1A1
SCHEMBL114393 0.72 HSP90AA1 (0.42) DPP8
Benzene SCHEMBL28264807 0.72 NOTUM (0.33) HPGD
SCHEMBL19331822 0.71 TSHR (0.39) RIPK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295113-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2023-09-21 US disclosed
WO-2023178099-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-09-21 WO disclosed
CN-104628741-A Novel compounds and therapeutic use thereof for protein kinase inhibition WU ZHANGGUI 2015-05-20 CN disclosed
CN-102711475-B Novel compounds and their therapeutic use for inhibiting protein kinases WU ZHANGGUI 2015-01-28 CN disclosed
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
CN-102711475-A Novel compounds and their therapeutic use for inhibiting protein kinases ZHANGGUI WU 2012-10-03 CN disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (4 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT DPP8 2976/4885RIPK1 261/4885HPGD 225/4885
US-20230295113-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 DPP8 297/4885RIPK1 90/4885HPGD 964/4885
US-20060287291-A1 Compounds HTR6, HTR1B, HTR1A DPP8 2917/4885RIPK1 4292/4885HPGD 668/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A DPP8 3043/4885RIPK1 4507/4885HPGD 753/4885

“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.