SCHEMBL16101100

SCHEMBL16101100

CN1CC=C(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
QDPR P09417 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR6 P50406 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL24802975 0.81 SLC6A4 (0.41) SLC6A4QDPR
SCHEMBL28905293 0.79 SLC6A4 (0.42) SLC6A4QDPRKDM4ELMNAPOLB
SCHEMBL31223021 0.79 QDPR (0.44) SLC6A4QDPR
SCHEMBL16095742 0.77 SLC6A4 (0.52) SLC6A4QDPRKDM4E
SCHEMBL17897342 0.76 QDPR (0.54) QDPR
SCHEMBL28664498 0.74 SMN1; SMN2 (0.50) KDM4ELMNAL3MBTL1
SCHEMBL18620920 0.73 QDPR (0.47) QDPR
SCHEMBL22647885 0.73 LIPG (0.53) POLB
SCHEMBL23850805 0.72 GAA (0.63) LMNAPOLBL3MBTL1
SCHEMBL14718661 0.72 SLC6A4 (0.46) SLC6A4QDPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
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
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US 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
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 SLC6A4 4729/4885QDPR 2433/4885KDM4E 1468/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 SLC6A4 4729/4885QDPR 2433/4885KDM4E 1468/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SLC6A4 4729/4885QDPR 2433/4885KDM4E 1468/4885

“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.