SCHEMBL19952819

SCHEMBL19952819

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.68
▸ PRSS2 P07478 2/20 0.68
▸ PRSS3 P35030 2/20 0.68
▸ TPSAB1 Q15661 2/20 0.68
▸ F2 P00734 1/20 0.68
▸ PKM P14618 3/20 0.66
▸ FOLH1 Q04609 3/20 0.64
▸ TDP1 Q9NUW8 5/20 0.63
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL890035 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18117435 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL12551869 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21531161 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL25375533 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24974563 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24670280 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24163378 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21151130 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13021124 1.00 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117783543-A Biotin coupling structure of estradiol and its synthesis method and application 苏州派博思生物技术有限公司 2024-03-29 — — CN claimed
EP-4660629-A1 METHOD FOR DETECTING TRANSTHYRETIN TETRAMER, AND METHOD FOR EVALUATING STABILITY SYSMEX CORPORATION (JP) 2025-12-10 — — EP disclosed
US-20250369975-A1 METHOD FOR DETECTING TRANSTHYRETIN TETRAMER, AND METHOD FOR EVALUATING STABILITY SYSMEX CORPORATION (JP) 2025-12-04 — — US disclosed
EP-3430015-B1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR ORYZON GENOMICS SA (ES) 2025-08-06 — — EP disclosed
EP-4269400-B1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE SA (PL) 2025-07-09 — — EP disclosed
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 — — US disclosed
US-12195783-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor ORYZON GENOMICS S.A. (ES) 2025-01-14 — — US disclosed
CN-117986608-A Method for grafting polymer on surface of universal substrate 烟台先进材料与绿色制造山东省实验室 2024-05-07 — — CN disclosed
CN-117783543-A Biotin coupling structure of estradiol and its synthesis method and application 苏州派博思生物技术有限公司 2024-03-29 — — CN disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 — — US disclosed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 — — EP disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 — — US disclosed
US-20220389478-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR ORYZON GENOMICS SA (ES) 2022-12-08 — — US disclosed
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 — — US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 — — US disclosed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 — — EP disclosed
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 — — US disclosed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — 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 (8 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-20220389478-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR KDM1B, KDM1A, KDM7A PRSS1 2408/4885PRSS2 4139/4885PRSS3 4498/4885
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 PRSS1 1431/4885PRSS2 2036/4885PRSS3 1477/4885
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA PRSS1 219/4885PRSS2 688/4885PRSS3 397/4885
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA PRSS1 201/4885PRSS2 1139/4885PRSS3 818/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA PRSS1 222/4885PRSS2 682/4885PRSS3 407/4885
US-12195783-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor KDM1B, KDM1A, KDM7A PRSS1 2408/4885PRSS2 4139/4885PRSS3 4498/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 PRSS1 1647/4885PRSS2 2229/4885PRSS3 1606/4885
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 PRSS1 1316/4885PRSS2 781/4885PRSS3 1409/4885

“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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