Sugi Predict

Sugi Predict / Compounds / SCHEMBL10201987

SCHEMBL10201987

SCHEMBL10201987

CC(=O)c1cccc2c(C)c(C)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.56
▸ MAPT P10636 6/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ BRPF1 P55201 1/20 0.47
▸ KDM4E B2RXH2 8/20 0.43
▸ HPGD P15428 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL31175276 0.86 AHR (0.56) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL6691799 0.86 AHR (0.56) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL28164563 0.84 AHR (0.55) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL6686573 0.81 AHR (0.51) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL159997 0.75 PBRM1 (0.57) MAPTNPC1MAPK1KDM4EHPGD
SCHEMBL15638810 0.73 HDAC3 (0.42) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL5341593 0.72 AHR (1.00) AHRMAPTNPC1MAPK1L3MBTL1
SCHEMBL10872559 0.71 AHR (0.41) AHRMAPTMAPK1L3MBTL1BRPF1
SCHEMBL7119411 0.71 KDM4E (0.55) MAPTNPC1L3MBTL1BRPF1KDM4E
SCHEMBL38573232 0.71 KDM4E (0.55) MAPTNPC1L3MBTL1BRPF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — 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 (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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B AHR 4185/4885MAPT 1662/4885NPC1 948/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B AHR 4185/4885MAPT 1662/4885NPC1 948/4885

“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.