Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608085

SCHEMBL1608085

SCHEMBL1608085

CS(=O)(=O)c1cccc(Cn2ccc3ccc(C(=O)NO)nc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.41
▸ HSD17B13 Q7Z5P4 1/20 0.41
▸ AURKA O14965 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ROS1 P08922 1/20 0.39
▸ FGFR1 P11362 1/20 0.39

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
SCHEMBL1608477 0.87 HDAC6 (0.42) HSD17B13MAPK9HDAC6HDAC8HDAC1
SCHEMBL1609082 0.84 RXFP1 (0.42) HDAC6HDAC8HDAC1HDAC2HDAC10
SCHEMBL1608723 0.82 MAOB (0.48) JAK2TYK2JAK3ALDH1A1HDAC6
SCHEMBL1608635 0.82 HDAC6 (0.47) JAK2ALDH1A1HDAC6HDAC8HDAC1
SCHEMBL1609074 0.82 HDAC6 (0.52) JAK2HDAC6HDAC8HDAC1HDAC2
SCHEMBL1607602 0.81 HDAC6 (0.50) JAK2RPS6KA3HDAC6HDAC8HDAC1
SCHEMBL1607519 0.81 ADRA1D (0.40) ADRA1DHSD17B13AURKADCLK1PDPK1
SCHEMBL1607813 0.81 HDAC3 (0.38) JAK2JAK3HDAC6HDAC8HDAC1
SCHEMBL1609246 0.80 HDAC8 (0.60) ADRA1DALDH1A1GAAHSD17B10HDAC6
SCHEMBL1608418 0.79 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC2HDAC10

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-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — US 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 ADRA1D 4606/4885HSD17B13 1731/4885AURKA 1733/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 ADRA1D 4679/4885HSD17B13 2051/4885AURKA 2085/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 ADRA1D 4606/4885HSD17B13 1731/4885AURKA 1733/4885

“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.