Sugi Predict

Sugi Predict / Compounds / SCHEMBL3201018

SCHEMBL3201018

SCHEMBL3201018

COc1ccccc1C(=O)N(c1ccccc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RORC P51449 2/20 0.44
▸ RORB Q92753 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL3201982 0.91 TRPM8 (0.45) NPC1RAB9ARORCRORBKDM4E
SCHEMBL3194076 0.81 LMNA (0.43) NPC1RAB9ARORCRORBKDM4E
SCHEMBL27930079 0.78 LMNA (0.50) NPC1RAB9AL3MBTL1KDM4EGAA
SCHEMBL12503021 0.78 SCD (0.47) KDM4EGAALMNACTNNB1WNT3A
SCHEMBL2772989 0.77 LMNA (0.51) NPC1RAB9ATSHRLMNAMEN1
SCHEMBL1896858 0.76 LMNA (0.53) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL1325354 0.74 LMNA (0.51) NPC1RAB9AGAALMNAMEN1
SCHEMBL2772986 0.74 LMNA (0.51) NPC1RAB9AL3MBTL1LMNAMEN1
SCHEMBL17439454 0.73 LMNA (0.48) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL665075 0.73 LMNA (0.48) NPC1RAB9AL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 — — US disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 — — US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 — — US disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 — — 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK NPC1 2003/4885RAB9A 3056/4885L3MBTL1 3981/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK NPC1 2003/4885RAB9A 3056/4885L3MBTL1 3981/4885

“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.