SCHEMBL4844848

SCHEMBL4844848

O=S1(=O)C=Cc2ccc[c]c21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
CA12 O43570 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
STAT3 P40763 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL15809167 0.67 CA1 (0.33) CA1CA2CA9MEN1NPC1
SCHEMBL62430 0.64 CA9 (0.46) CA1CA2CA9CA12MEN1
SCHEMBL31003510 0.64 CA9 (0.46) CA1CA2CA9CA12MEN1
SCHEMBL4303151 0.62 CA1 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL1451128 0.62 CA1 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL10855633 0.60 CA2 (0.35) CA1CA2CA9CA12MEN1
SCHEMBL9490386 0.60
SCHEMBL10816373 0.60 CA1 (0.34) CA1CA2CA9CA12MEN1
Methoxymethane SCHEMBL10856175 0.58 CA9 (0.41) CA1CA2CA9CA12MEN1
SCHEMBL19744948 0.58 GPR3 (0.48) CA1CA2CA9CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US claimed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US claimed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP claimed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US claimed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP claimed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US claimed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
WO-2024005197-A1 SOLID DISPERSION, PHARMACEUTICAL PREPARATION CONTAINING SOLID DISPERSION, AND METHODS RESPECTIVELY FOR PRODUCING THESE PRODUCTS 日本新薬株式会社 2024-01-04 WO disclosed
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-02-09 US disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 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 (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-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR MPEG1, CD274, PDCD1 CA1 2545/4885CA2 2574/4885CA9 383/4885
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 CA1 3990/4885CA2 3851/4885CA9 4244/4885
US-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 CA1 355/4885CA2 827/4885CA9 658/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 CA1 2940/4885CA2 3615/4885CA9 1186/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CA1 2961/4885CA2 3401/4885CA9 3195/4885
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR PDGFRB, PDGFRA, PDGFA CA1 3818/4885CA2 549/4885CA9 1343/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CA1 2961/4885CA2 3401/4885CA9 3195/4885

“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.