SCHEMBL18957487

SCHEMBL18957487

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.66
▸ FOLH1 Q04609 5/20 0.64
▸ F2 P00734 1/20 0.63
▸ PRSS1 P07477 1/20 0.63
▸ PRSS2 P07478 1/20 0.63
▸ PRSS3 P35030 1/20 0.63
▸ TPSAB1 Q15661 1/20 0.63
▸ PKM P14618 3/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ IDE P14735 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RIN1 Q13671 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PLCD1 P51178 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56

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
SCHEMBL19357618 0.95 F2 (0.69) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL1164911 0.95 F2 (0.69) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL721419 0.95 F2 (0.69) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL27209727 0.94 F2 (0.67) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL23334534 0.93 TDP1 (0.68) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL1300276 0.93 TDP1 (0.68) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL30504309 0.93 FOLH1 (0.70) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21531147 0.93 FOLH1 (0.70) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21531206 0.93 FOLH1 (0.70) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL16123471 0.93 TDP1 (0.68) TDP1FOLH1F2PRSS1PRSS2

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 9 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-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-11-03 — — US disclosed
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-10-13 — — US disclosed
US-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-06-23 — — US disclosed
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
EP-3386992-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE Janssen Pharmaceutica, N.V. (BE) 2018-10-17 — — EP disclosed
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 — — US disclosed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 — — 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 (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-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 TDP1 193/4885FOLH1 4398/4885F2 2538/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 TDP1 244/4885FOLH1 4486/4885F2 2422/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 TDP1 193/4885FOLH1 4398/4885F2 2538/4885
US-20230381146-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND USE THEREOF SSB, BTK, PADI6 TDP1 31/4885FOLH1 1595/4885F2 2954/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 TDP1 244/4885FOLH1 4486/4885F2 2422/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 TDP1 244/4885FOLH1 4486/4885F2 2422/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 TDP1 244/4885FOLH1 4486/4885F2 2422/4885

“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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