Sugi Predict

Sugi Predict / Compounds / SCHEMBL16100693

SCHEMBL16100693

SCHEMBL16100693

C=CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.39
▸ BTK Q06187 1/20 0.35
▸ CA1 P00915 8/20 0.34
▸ CA2 P00918 8/20 0.34
▸ CA9 Q16790 8/20 0.34
▸ P4HB P07237 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ LIPG Q9Y5X9 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ LPL P06858 1/20 0.31

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
SCHEMBL22858723 0.85 HIF1A (0.42) HIF1ACA1CA2CA9P4HB
SCHEMBL22858724 0.83 HIF1A (0.41) HIF1ACA1CA2CA9P4HB
SCHEMBL16099915 0.82 HIF1A (0.45) HIF1ABTKCA1CA2CA9
SCHEMBL30380201 0.82 HIF1A (0.45) HIF1ABTKCA1CA2CA9
SCHEMBL16095549 0.81 HIF1A (0.42) HIF1ABTKCA1CA2CA9
SCHEMBL16123326 0.81 PDGFRB (0.42) HIF1ABTKCA1CA2CA9
SCHEMBL16101030 0.79 HIF1A (0.43) HIF1ABTKDGAT1
SCHEMBL30380339 0.79 HIF1A (0.43) HIF1ABTKDGAT1
SCHEMBL30226989 0.78 CA1 (0.47) HIF1ACA1CA2CA9P4HB
SCHEMBL16101168 0.78 HIF1A (0.40) HIF1ABTKDGAT1

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
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US 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 HIF1A 4667/4885BTK 252/4885CA1 3327/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 HIF1A 4667/4885BTK 252/4885CA1 3327/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HIF1A 4667/4885BTK 252/4885CA1 3327/4885

“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.