SCHEMBL10201225

SCHEMBL10201225

CC(C)(C)C1=CCN(S(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD11B1 P28845 2/20 0.34
CCNT1 O60563 8/20 0.33
CDK9 P50750 8/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
GPR119 Q8TDV5 2/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20243870 0.83 TDO2 (0.37) TDO2ESR1ESR2CCNT1CDK9
SCHEMBL17886592 0.81 JAK1 (0.34) HSD11B1CCNT1CDK9ALDH1A1PKM
SCHEMBL19226361 0.81 NAMPT (0.39) HSD11B1CCNT1CDK9ALDH1A1PKM
SCHEMBL19226360 0.78 HSD11B1 (0.33) HSD11B1LMNA
SCHEMBL17886593 0.78 HSD11B1 (0.33) HSD11B1LMNA
SCHEMBL17886605 0.77 ALDH1A1 (0.61) HSD11B1ALDH1A1PKMLMNAPOLB
SCHEMBL21732887 0.76
SCHEMBL22959611 0.76 HSD11B1 (0.61) HSD11B1ALDH1A1LMNAPOLB
SCHEMBL21732951 0.75
SCHEMBL12286066 0.75 TDO2 (0.43) TDO2ESR1ESR2CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159497-A1 CBP/EP300 INHIBITOR AND USE THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2023-05-25 US disclosed
US-20230159497-A1 CBP/EP300 INHIBITOR AND USE THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2023-05-25 US disclosed
US-20210395235-A1 COMPOUND AS TGF-beta R1 INHIBITOR AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2021-12-23 US disclosed
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE HOLDINGS CORPORATION (US) 2021-02-16 US disclosed
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2020-04-30 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 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 (11 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TDO2 769/4885ESR1 4785/4885ESR2 4278/4885
US-20210395235-A1 COMPOUND AS TGF-beta R1 INHIBITOR AND APPLICATION THEREOF TGFBR1, TGFB1, TGFBR2 TDO2 4406/4885ESR1 2938/4885ESR2 1968/4885
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 TDO2 4006/4885ESR1 2808/4885ESR2 2298/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 TDO2 4154/4885ESR1 4425/4885ESR2 3536/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA TDO2 4506/4885ESR1 775/4885ESR2 1082/4885
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 TDO2 2929/4885ESR1 1773/4885ESR2 1463/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TDO2 769/4885ESR1 4785/4885ESR2 4278/4885
US-20230159497-A1 CBP/EP300 INHIBITOR AND USE THEREOF EP300, CREBBP, BPTF TDO2 4760/4885ESR1 2141/4885ESR2 890/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 TDO2 1073/4885ESR1 2769/4885ESR2 3039/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B TDO2 2434/4885ESR1 3809/4885ESR2 3462/4885
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 TDO2 2929/4885ESR1 1773/4885ESR2 1463/4885

“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.