Sugi Predict

Sugi Predict / Compounds / SCHEMBL832227

SCHEMBL832227

SCHEMBL832227

Cc1ccc2[nH]c(C(=O)OC(C)(C)C)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ PIN1 Q13526 1/20 0.62
▸ FLT3 P36888 4/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ NPC1 O15118 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ AKR1C3 P42330 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL3494717 0.84 HRH4 (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4666737 0.84 F7 (0.60) RAB9AFLT3PDGFRBNPC1HRH4
SCHEMBL7493127 0.84 FLT3 (0.57) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31310313 0.83 RAB9A (0.72) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL214096 0.83 RAB9A (0.72) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28264506 0.81 RAB9A (0.70) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28867998 0.81 RAB9A (0.70) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL318243 0.81 KDM4E (0.63) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29496122 0.81 KDM4E (0.63) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23486667 0.81 MMP13 (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 RAB9A 3773/4885KDM4E 2071/4885ALDH1A1 2482/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 RAB9A 3194/4885KDM4E 1061/4885ALDH1A1 1792/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT RAB9A 3050/4885KDM4E 1111/4885ALDH1A1 800/4885

“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.