SCHEMBL16075321

SCHEMBL16075321

CCOC(=O)c1sc(N2CCC3(CCCN3C(=O)OC(C)(C)C)CC2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
SCN9A Q15858 1/20 0.40
DHODH Q02127 5/20 0.39
HPGD P15428 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TNK2 Q07912 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL16075339 0.89 BTK (0.47) ALDH1A1NPSR1HTTTNK2SMN1; SMN2
SCHEMBL16075307 0.85 CKS1B (0.49) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16075317 0.84 BTK (0.42) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16075309 0.82 ALDH1A1 (0.43) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL19909753 0.81 ALDH1A1 (0.62) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16075315 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16075320 0.80 SCN9A (0.42) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16597702 0.78 ALDH1A1 (0.50) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16075310 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1HTTHSD17B10GAA
SCHEMBL16127641 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10SCN9ADHODHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
WO-2014151620-A1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-25 WO disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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 (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-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 2799/4885NPSR1 3455/4885HTT 2760/4885

“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.