SCHEMBL16095938

SCHEMBL16095938

CC(C)(C)C1C=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2N)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ROCK1 Q13464 1/20 0.32
USP30 Q70CQ3 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL1806364 0.76 NCF1 (0.31)
SCHEMBL1804491 0.75 MAPK1 (0.36)
SCHEMBL16095937 0.72 PDK4 (0.48) USP30
SCHEMBL12492818 0.71 ROCK1 (0.36) F2F11PRSS1PRSS2PRSS3
SCHEMBL2122134 0.71 ROCK1 (0.36) F2F11PRSS1PRSS2PRSS3
SCHEMBL16101170 0.71 F2 (0.33) F2F11PRSS1PRSS2PRSS3
SCHEMBL28829815 0.67 MAPK1 (0.35)
SCHEMBL12491853 0.67 ROCK1 (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL17368539 0.66 P2RX7 (0.41) F11LIPG
SCHEMBL19611363 0.65 ROCK1 (0.42) F2F11PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (3 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 F2 3591/4885F11 4637/4885PRSS1 1873/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 F2 3591/4885F11 4637/4885PRSS1 1873/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 F2 3591/4885F11 4637/4885PRSS1 1873/4885

“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.