SCHEMBL14696426

SCHEMBL14696426

CC(C)(C)c1ccc2c(c1)C(O)N(C(C)(C)C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 5/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ CA2 P00918 3/20 0.37
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3839347 0.84 ALDH1A1 (0.43) CA9CA1CA12ALDH1A1NPC1
SCHEMBL2262138 0.82 SMN1; SMN2 (0.40) CA9CA1CA12ALDH1A1NPC1
SCHEMBL2954267 0.81 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDALOX15HSD17B10
SCHEMBL13237699 0.81 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDALOX15HSD17B10
SCHEMBL20367014 0.78 MEN1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL4469438 0.75 ALDH1A1 (0.40) CA9CA1CA12ALDH1A1NPC1
SCHEMBL14696518 0.74 GABBR2 (0.31) —
SCHEMBL19865696 0.73 CA9 (0.46) CA9CA1CA12ALDH1A1NPC1
SCHEMBL30719677 0.73 DYRK1A (0.52) CA9CA1CA12ALDH1A1NPC1
SCHEMBL24077119 0.69 ALDH1A1 (0.46) CA9CA1CA12ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 — — EP disclosed
US-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 — — US disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 — — US disclosed
EP-2895473-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-07-22 — — EP disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
EP-2744804-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-25 — — EP disclosed
WO-2014040965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 — — WO disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — WO disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 — — 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 (2 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-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CA9 4106/4885CA1 4635/4885CA12 4771/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CA9 3901/4885CA1 4661/4885CA12 4776/4885

“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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