SCHEMBL17844716

SCHEMBL17844716

CC1(C)OB(c2cc(C(F)(F)F)c3[nH]c(CNC(=O)O)cc3c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.35
▸ F11 P03951 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ CACNA1C Q13936 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
SCHEMBL17859406 0.87 PRMT5 (0.47) F2F11PRSS1PRSS2PRSS3
SCHEMBL19742267 0.81 CACNA1H (0.40) F2F11PRSS1PRSS2PRSS3
SCHEMBL16345883 0.77 F2 (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL19742276 0.77 F2 (0.35) F2F11PRSS1PRSS2PRSS3
SCHEMBL17844720 0.76 F2 (0.34) F2F11PRSS1PRSS2PRSS3
SCHEMBL17844727 0.76 F2 (0.34) F2F11PRSS1PRSS2PRSS3
SCHEMBL17844702 0.76 CACNA1H (0.33) CACNA1BCACNA1C
SCHEMBL22659448 0.75 EPHX2 (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL19750048 0.73 PDGFRB (0.34) F2F11PRSS1PRSS2PRSS3
SCHEMBL4162207 0.70 F2 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369470-A1 Cyclic Compounds and Uses Thereof Karyopharm Therapeutics Inc. 2017-12-28 — — US disclosed
WO-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — 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 (1 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-20170369470-A1 Cyclic Compounds and Uses Thereof MALT1, BCL9, BCL6 F2 4614/4885F11 3515/4885PRSS1 1856/4885

“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.

Send feedback