SCHEMBL3360468

SCHEMBL3360468

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1ccc2c(c1)C(C)(C)CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.34
RXRB P28702 8/20 0.34
RXRG P48443 7/20 0.34
GAA P10253 1/20 0.33
AKT1 P31749 2/20 0.33
MT-CO2 P00403 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL3515054 0.83 GHSR (0.36) RXRARXRBRXRGGAAAKT1
SCHEMBL3361228 0.81 GAA (0.38) GAAAKT1MT-CO2KDM4ENPC1
SCHEMBL16366448 0.80 RXRA (0.37) RXRARXRBRXRGMT-CO2CYP26B1
SCHEMBL31472213 0.80 MT-CO2 (0.38) RXRARXRBRXRGAKT1MT-CO2
SCHEMBL12987017 0.80 MT-CO2 (0.38) RXRARXRBRXRGAKT1MT-CO2
SCHEMBL1706347 0.79 KDM4E (0.33) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL3361225 0.77 AKT1 (0.33) AKT1KDM4ENPC1MAPTRAB9A
SCHEMBL10564385 0.75 KDM4E (0.42) KDM4ENPC1MAPTRAB9ACTSL
SCHEMBL4865232 0.75 MAPT (0.47) GAAAKT1NPC1MAPTRAB9A
SCHEMBL27831192 0.75 RXRA (0.42) RXRARXRBRXRGCYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP 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-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK RXRA 815/4885RXRB 701/4885RXRG 543/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK RXRA 815/4885RXRB 701/4885RXRG 543/4885

“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.