SCHEMBL20107170

SCHEMBL20107170

CC(C)(C)OC(=O)N[C@]1(C(=O)O)CC1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
APLNR P35414 1/20 0.38
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DGAT1 O75907 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
EPHX2 P34913 1/20 0.31
CACNA1H O95180 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL3345289 1.00 KMT2A (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL634842 1.00 KMT2A (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL22380465 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL22380661 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL635108 0.87 MEN1 (0.38) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL9666907 0.86 KMT2A (0.39) KMT2AMEN1MAPK1APLNRBTK
SCHEMBL19558543 0.82 APLNR (0.37) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL13748923 0.82 APLNR (0.37) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL19174581 0.80 APLNR (0.35) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL27872243 0.79 MEN1 (0.43) KMT2AMEN1MAPK1APLNRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442792-B2 Synthetic route to anti-viral agents ABBVIE INC. (US) 2019-10-15 US disclosed
US-20190084966-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2019-03-21 US disclosed
EP-3315497-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING CYCLOPROPANE CARBOXYLIC ACID COMPOUND Central Glass Co., Ltd. (JP) 2018-05-02 EP 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 (2 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-10442792-B2 Synthetic route to anti-viral agents ACE, ACE2, PREP KMT2A 2623/4885MEN1 3202/4885MAPK1 2037/4885
US-20190084966-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP KMT2A 2623/4885MEN1 3202/4885MAPK1 2037/4885

“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.