SCHEMBL1369819

SCHEMBL1369819

C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CYP2D6 P10635 1/20 0.46
CTSK P43235 12/20 0.44
CTSS P25774 5/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL2544316 1.00 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544315 1.00 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL7922247 0.84 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL254254 0.84 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL8142343 0.84 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL24158021 0.83 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL12147460 0.83 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL12682087 0.81 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL17857663 0.81 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL17700922 0.81 CA1 (0.50) CA1CA2CA7CYP2D6CTSK

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407395-B2 Benzimidazole compound and medical use thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-09-10 US disclosed
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2018-06-21 US disclosed
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
US-9688670-B2 Benzimidazole compounds and medical uses thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-06-27 US disclosed
US-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF Sumitomo Pharma Co., Ltd. (JP) 2017-04-20 US disclosed
WO-2017043636-A1 NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 2017-03-16 WO disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-9221826-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
WO-2012125887-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2012125887-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (5 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-20170107211-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF KCNA7, SCN1A, KCNA1 CA1 3814/4885CA2 863/4885CA7 1103/4885
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 CA1 4464/4885CA2 3010/4885CA7 4333/4885
US-10407395-B2 Benzimidazole compound and medical use thereof SCN1B, SCN1A, KCNA7 CA1 3394/4885CA2 726/4885CA7 820/4885
US-20180170881-A1 NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF KCNA7, SCN1A, KCNA1 CA1 3814/4885CA2 863/4885CA7 1103/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 CA1 4390/4885CA2 3251/4885CA7 4014/4885

“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.