Sugi Predict

Sugi Predict / Compounds / SCHEMBL855326

SCHEMBL855326

SCHEMBL855326

CCc1c(OC)cc(C(=O)C(C)(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BPTF Q12830 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
SCHEMBL15298580 0.81 HTT (0.45) HTR2ATSHRLMNABPTFHTT
SCHEMBL408803 0.80 HTR2A (0.43) HTR2ATSHRCA12CA1CA2
SCHEMBL12303222 0.79 LMNA (0.62) TSHRCA12CA1CA2CA4
SCHEMBL10317598 0.79 CA12 (0.62) TSHRCA12CA1CA2CA4
SCHEMBL462588 0.79 TUBB4A (0.51) TSHRCYP3A4LMNAHTTL3MBTL1
SCHEMBL28563630 0.78 MAPT (0.50) TSHRCA12CA1CA2CA7
SCHEMBL8432131 0.78 MEN1 (0.51) TSHRCA12CA1CA2CA4
SCHEMBL17479949 0.75 RXFP1 (0.45) HTR2ATSHRCA12CA1CA2
SCHEMBL10318729 0.75 HSD17B2 (0.61) TSHRCA12CA1CA2CA7
SCHEMBL26054370 0.74 KMT2A (0.37) HTR2ATSHRLMNAHMGCRHTT

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-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 — — US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 — — US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 — — US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 — — US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 — — 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 (4 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HTR2A 4283/4885TSHR 3443/4885CA12 4791/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HTR2A 4283/4885TSHR 3443/4885CA12 4791/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HTR2A 4283/4885TSHR 3443/4885CA12 4791/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HTR2A 4283/4885TSHR 3443/4885CA12 4791/4885

“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.