SCHEMBL10236256

SCHEMBL10236256

CC(C)(C)c1ccc(-c2nc3cccc(O)c3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GFER P55789 1/20 0.48
IKBKB O14920 2/20 0.47
DHODH Q02127 1/20 0.47
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
ADRB2 P07550 1/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 1/20 0.40
ESR2 Q92731 2/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL1040237 0.81 DHODH (0.62) NPC1RAB9ADHODHKDM4EHPGD
SCHEMBL4147765 0.80 NPC1 (0.55) NPC1RAB9ADHODHHDAC6ALDH1A1
SCHEMBL10279125 0.79 ESR2 (0.48) NPC1RAB9ADHODHKDM4EALDH1A1
SCHEMBL4468582 0.77 MEN1 (0.46) NPC1RAB9AGFERIKBKBDHODH
SCHEMBL31027964 0.75 NPC1 (0.64) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL3288401 0.75 NPC1 (0.64) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL486571 0.74 ELANE (0.51) NPC1RAB9AHDAC2HDAC8KDM4E
SCHEMBL9604042 0.74 ALOX5 (0.45) NPC1RAB9AGFERIKBKBDHODH
SCHEMBL914211 0.73 ELANE (0.71) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL18500357 0.73 NPC1 (0.45) NPC1RAB9AGFERDHODHHDAC6

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-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 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 (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-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 NPC1 3712/4885RAB9A 3339/4885GFER 2602/4885

“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.