SCHEMBL2736223

SCHEMBL2736223

COC(=O)[C@H](COC(C)(C)C)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
CTSD P07339 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL6896905 1.00 MAPK1 (0.35) MAPK1CTSDCA1CA2GRN
SCHEMBL28856630 0.85 MAPK1 (0.34) MAPK1
SCHEMBL28856629 0.85 MAPK1 (0.34) MAPK1
SCHEMBL3498626 0.82 MAPK1 (0.38) MAPK1GRNSORT1
SCHEMBL3498625 0.82 MAPK1 (0.38) MAPK1GRNSORT1
SCHEMBL30945834 0.82 MAPK1 (0.32) MAPK1
SCHEMBL30227395 0.80 ALDH1A1 (0.37) MAPK1
SCHEMBL27695096 0.79 CA1 (0.32) CA1CA2
SCHEMBL30409242 0.79 NAAA (0.37) MAPK1
SCHEMBL30945779 0.77 NAAA (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
US-20230135772-A1 CARBODIIMIDE COMPOSITION, CURING AGENT COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
EP-4130154-A1 CARBODIIMIDE COMPOSITION, HARDENER COMPOSITION, COATING COMPOSITION, AND CURED RESIN OBJECT Asahi Kasei Kabushiki Kaisha (JP) 2023-02-08 EP disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
CN-1658855-A O-substituted hydroxyaryl derivatives INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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 (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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO MAPK1 3696/4885CTSD 789/4885CA1 4412/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 MAPK1 4472/4885CTSD 1913/4885CA1 2104/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MAPK1 4501/4885CTSD 1756/4885CA1 2228/4885
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 MAPK1 3018/4885CTSD 2043/4885CA1 48/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MAPK1 4095/4885CTSD 1588/4885CA1 2205/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MAPK1 4501/4885CTSD 1756/4885CA1 2228/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MAPK1 4095/4885CTSD 1588/4885CA1 2205/4885

“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.