SCHEMBL13041591

SCHEMBL13041591

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.60
▸ PRSS1 P07477 1/20 0.60
▸ PRSS2 P07478 1/20 0.60
▸ PRSS3 P35030 1/20 0.60
▸ TPSAB1 Q15661 1/20 0.60
▸ TDP1 Q9NUW8 5/20 0.58
▸ FOLH1 Q04609 3/20 0.57
▸ PKM P14618 3/20 0.56
▸ PLCD1 P51178 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ IDE P14735 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RIN1 Q13671 1/20 0.51

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
SCHEMBL15258705 1.00 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24313157 0.98 F2 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10689008 0.98 TDP1 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30062300 0.95 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1164840 0.95 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL269540 0.95 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19679441 0.95 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30904598 0.94 F2 (0.64) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20042594 0.93 TDP1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20711508 0.93 TDP1 (0.62) F2PRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2023-11-30 — — US disclosed
EP-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 — — EP disclosed
WO-2020246602-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE 大塚製薬株式会社 2020-12-10 — — WO disclosed
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 — — US disclosed
WO-2016181312-A1 POLYCYCLIC EPOXIDES AND COMPOSITIONS THEREOF WITH ANTI-CANCER ACTIVITIES VERSITECH LIMITED (CN) 2016-11-17 — — WO disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 — — EP disclosed
US-20140171635-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK BIOSCIENCES, INC. (US) 2014-06-19 — — US disclosed
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 — — US disclosed
US-8541555-B2 Hydrazone-based and oxime-based fluorescent and chromophoric/pro-fluorescent and pro-chromophoric reagents and linkers SOLULINK BIOSCIENCES, INC. (US) 2013-09-24 — — US disclosed
WO-2010135800-A1 INHIBITING OXIDATION AND IMMOBILIZING BIOMOLECULES ON A HYDROGEN-TERMINATED CRYSTALLINE SILICON SUBSTRATE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-12-02 — — 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 (1 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-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 F2 2954/4885PRSS1 273/4885PRSS2 599/4885

“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.

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