SCHEMBL21172

SCHEMBL21172

Cn1ncc2cc(B(O)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 1/20 0.41
CTNNB1 P35222 1/20 0.40
TCF7 P36402 1/20 0.40
CDC7 O00311 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.40
PDE1C Q14123 1/20 0.40
AR P10275 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.39
CCNC P24863 1/20 0.39

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
SCHEMBL29722623 1.00 TRPA1 (0.42) TRPA1CA1CA2MAOBMAOA
SCHEMBL29906309 0.88 CA1 (0.38) TRPA1CA1CA2MAOBMAOA
SCHEMBL29953317 0.86 NOTUM (0.44) CA1CA2PDE1CCCNCCDK8
SCHEMBL876657 0.86 NOTUM (0.44) CA1CA2PDE1CCCNCCDK8
SCHEMBL4251433 0.78 HTR2A (0.39) CA1CA2NOTUM
SCHEMBL26027127 0.78 ACLY (0.41) CA1CA2
SCHEMBL31089867 0.78 ACLY (0.41) CA1CA2
SCHEMBL26170010 0.77 CA1 (0.37) CA1CA2MAOBNPC1ALDH1A1
SCHEMBL30574359 0.76 USP7 (0.48) TRPA1MAOBMAOAACHECTNNB1
SCHEMBL1361082 0.76 USP7 (0.48) TRPA1MAOBMAOAACHECTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138998-A1 GLP-1 RECEPTOR AGONISTS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2026-05-21 US disclosed
CN-122010905-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2026-05-12 CN disclosed
US-12612387-B2 RAS inhibitors and methods of using the same JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2026-04-28 US disclosed
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof GUANGZHOU VINNOCENT PHARMACEUTICAL LTD (CN) 2026-04-02 US disclosed
US-20260078131-A1 PYRROLO-PYRIDAZINE INHIBITORS OF JAK2 AJAX THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260070914-A1 SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZIN-2-AMINES AS CDK2 AND CDK4 INHIBITORS INCYTE CORP (US) 2026-03-12 US disclosed
US-20260070880-A1 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES, INC. (US) 2026-03-12 US disclosed
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20080070967-A1 Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2008-03-20 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (9 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-20260078131-A1 PYRROLO-PYRIDAZINE INHIBITORS OF JAK2 JAK2, JAK1, JAK3 TRPA1 3655/4885CA1 3446/4885CA2 1424/4885
US-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 TRPA1 3292/4885CA1 3239/4885CA2 3928/4885
US-20260138998-A1 GLP-1 RECEPTOR AGONISTS AND METHODS OF USE GLP1R, GIPR, GPR119 TRPA1 671/4885CA1 2620/4885CA2 638/4885
US-20260070914-A1 SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZIN-2-AMINES AS CDK2 AND CDK4 INHIBITORS CCNA1, CCNO, CDK1 TRPA1 4596/4885CA1 2884/4885CA2 3490/4885
US-20260070880-A1 DYNAMIN ACTIVATORS DNM1, DNM1L, DNM2 TRPA1 4219/4885CA1 3576/4885CA2 554/4885
US-12612387-B2 RAS inhibitors and methods of using the same KRAS, NRAS, HRAS TRPA1 4736/4885CA1 2806/4885CA2 1290/4885
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof STS, NR5A1, CYP21A2 TRPA1 4882/4885CA1 740/4885CA2 1669/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885CA1 2331/4885CA2 864/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TRPA1 186/4885CA1 2570/4885CA2 1002/4885

“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.