SCHEMBL19408982

SCHEMBL19408982

O=C(O)N[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.67
EPHX1 P07099 1/20 0.59
TLR4 O00206 1/20 0.58
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSK P43235 1/20 0.56
DPP4 P27487 3/20 0.54
DPP7 Q9UHL4 3/20 0.54
KCNH2 Q12809 1/20 0.54
CPB1 P15086 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ACHE P22303 1/20 0.51
HSD11B1 P28845 1/20 0.51
KDM1A O60341 1/20 0.51
MAOB P27338 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
SCHEMBL28879466 0.94 EPHX1 (0.64) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL29492533 0.90 EPHX1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL5442669 0.90 EPHX1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL5442666 0.90 EPHX1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL5442663 0.90 EPHX1 (0.68) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3948456 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL381922 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3948461 0.89 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3538525 0.89 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL18623681 0.89 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1TLR4

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-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US disclosed
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 US disclosed
US-20210101910-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2021-04-08 US disclosed
US-10934310-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2021-03-02 US disclosed
EP-3719022-A1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE Janssen Pharmaceutica NV (BE) 2020-10-07 EP disclosed
US-10717745-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-07-21 US disclosed
EP-3386991-B1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-06-03 EP disclosed
US-20190276471-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-12 US disclosed
US-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 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-10934310-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN ALDH1A1 4036/4885GAA 1131/4885TSHR 3846/4885
US-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885GAA 1131/4885TSHR 3846/4885
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885GAA 1131/4885TSHR 3846/4885
US-10717745-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN ALDH1A1 4036/4885GAA 1131/4885TSHR 3846/4885
US-20210101910-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 ALDH1A1 3938/4885GAA 1257/4885TSHR 4089/4885
US-20190276471-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN ALDH1A1 4036/4885GAA 1131/4885TSHR 3846/4885
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 ALDH1A1 3938/4885GAA 1257/4885TSHR 4089/4885

“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.