Sugi Predict

Sugi Predict / Compounds / SCHEMBL11064798

SCHEMBL11064798

SCHEMBL11064798

COc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.67
▸ CA1 P00915 6/20 0.64
▸ CA2 P00918 6/20 0.64
▸ CES2 O00748 2/20 0.57
▸ CES1 P23141 2/20 0.57
▸ PARP1 P09874 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ PARP4 Q9UKK3 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ PLK1 P53350 1/20 0.50

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
SCHEMBL109451 0.87 CA1 (0.61) ELANECA1CA2CA12CA9
SCHEMBL5918245 0.86 HPGD (0.54) ELANECA1CA2PARP10PARP4
SCHEMBL7346788 0.83 CA1 (0.59) ELANECA1CA2MAPTMEN1
Hydrazine SCHEMBL10771056 0.83 CA12 (0.62) ELANECA1CA2MAPTCA12
SCHEMBL22304536 0.82 CA1 (0.50) ELANECA1CA2CES2CES1
SCHEMBL14776148 0.82 CA1 (0.62) ELANECA1CA2CES2CES1
SCHEMBL12832692 0.82 ELANE (0.59) ELANECA1CA2CES2CES1
SCHEMBL27684682 0.82 ELANE (0.64) ELANECA1CA2CES2CES1
SCHEMBL13595528 0.81 CA1 (0.56) ELANECA1CA2CES2CES1
SCHEMBL27595732 0.81 KDM4E (0.58) ELANECA1CA2KDM4EMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724796-A Phenylpropionic acid derivative, and preparation method and application thereof 广东众生睿创生物科技有限公司 2024-10-01 — — CN disclosed
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 — — CN disclosed
CN-118619932-A GPR40 agonist and preparation method and application thereof 广东众生睿创生物科技有限公司 2024-09-10 — — CN disclosed
US-20210395491-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-12-23 — — US disclosed
US-20200247977-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2020-08-06 — — US disclosed
US-20200190420-A1 ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-18 — — US disclosed
EP-3611228-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS California Institute of Technology (US) 2020-02-19 — — EP disclosed
US-10428286-B2 Associative polymers for use in a flow and related compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-10-01 — — US disclosed
CN-105101970-B β -lactamase inhibitor 维纳拓尔斯制药公司 2018-11-20 — — CN disclosed
CN-108472284-A β -lactamase inhibitor 维纳拓尔斯制药公司 2018-08-31 — — CN disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110172285-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
US-20110172285-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2011-07-14 — — US disclosed
US-7910616-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2011-03-22 — — US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
CN-101548243-A Toner and method for producing the same RICOH KK (JP) 2009-09-30 — — CN disclosed
US-20080199809-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-08-21 — — US disclosed
US-20080199809-A1 OPTICAL INFORMATION RECORDING MEDIUM AND METHOD OF RECORDING INFORMATION FUJIFILM CORPORATION (JP) 2008-08-21 — — US disclosed
CN-1850774-A Method for synthesizing carboxylic tert-butyl ester UNIV SHANGHAI (CN) 2006-10-25 — — CN disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 — — 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-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ELANE 943/4885CA1 310/4885CA2 308/4885
US-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 ELANE 1107/4885CA1 3708/4885CA2 4532/4885
US-20110172285-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 ELANE 1107/4885CA1 3708/4885CA2 4532/4885

“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.