SCHEMBL1369971

SCHEMBL1369971

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CYP2D6 P10635 1/20 0.47
CTSK P43235 9/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40
PREP P48147 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB1 P08183 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL12538942 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL12538941 1.00 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL14443734 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL14297590 0.82 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL38665130 0.82 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL1369819 0.79 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544316 0.79 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544315 0.79 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL22906651 0.78 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL12396266 0.77 CA1 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226298-A1 GPR40 AGONISTS KALLYOPE, INC. 2022-07-21 US disclosed
EP-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 EP disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 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-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 (4 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 CA1 4464/4885CA2 3010/4885CA7 4333/4885
US-20220226298-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R CA1 4337/4885CA2 4506/4885CA7 4616/4885
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof IDH1, IDH2, IDH3B CA1 2362/4885CA2 1272/4885CA7 2260/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 CA1 4464/4885CA2 3010/4885CA7 4333/4885

“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.