Sugi Predict

Sugi Predict / Compounds / SCHEMBL397978

SCHEMBL397978

SCHEMBL397978

CC(C)(C)OC(=O)NCC(O)COCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.58
▸ SYK P43405 1/20 0.58
▸ CTSS P25774 3/20 0.58
▸ PPARG P37231 1/20 0.53
▸ CA1 P00915 3/20 0.51
▸ CASR P41180 1/20 0.50
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KLK7 P49862 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48
▸ ATM Q13315 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ ADRB2 P07550 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ ADRB3 P13945 2/20 0.45
▸ AKT1 P31749 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CTSL P07711 1/20 0.44

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
SCHEMBL4744957 1.00 PPARA (0.58) PPARASYKCTSSPPARGCA1
SCHEMBL29295304 1.00 PPARA (0.58) PPARASYKCTSSPPARGCA1
SCHEMBL23574227 0.88 PPARA (0.59) PPARASYKCTSSPPARGCA1
SCHEMBL30622954 0.87 SYK (0.56) PPARASYKCTSSPPARGCA1
SCHEMBL28915565 0.86 PPARA (0.55) PPARASYKCTSSPPARGCA1
SCHEMBL23657108 0.86 PPARA (0.55) PPARASYKCTSSPPARGCA1
SCHEMBL28578904 0.86 PPARA (0.55) PPARASYKCTSSPPARGCA1
SCHEMBL28578906 0.86 PPARA (0.55) PPARASYKCTSSPPARGCA1
SCHEMBL22018391 0.86 PPARA (0.57) PPARASYKCTSSPPARGCA1
SCHEMBL21128729 0.86 PPARA (0.57) PPARASYKCTSSPPARGCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
EP-3023108-B1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU KOGYO CO LTD (JP) 2021-04-07 — — EP disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 — — US disclosed
US-10675354-B2 Glycosaminoglycan derivative and method for producing same SEIKAGAKU CORPORATION (JP) 2020-06-09 — — US disclosed
US-20200155694-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2020-05-21 — — US disclosed
CN-110891954-A Inhibitors of leucine-rich repeat kinase 2 葛兰素史密斯克莱知识产权发展有限公司 2020-03-17 — — CN disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 — — US disclosed
US-20190184023-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2019-06-20 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — WO disclosed
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-20070207997-A1 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-09-06 — — 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 (9 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-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PPARA 690/4885SYK 4663/4885CTSS 3863/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PPARA 690/4885SYK 4663/4885CTSS 3863/4885
US-20070207997-A1 Alpha carbolines and uses thereof CHRM1, CNR1, CXCR1 PPARA 2626/4885SYK 948/4885CTSS 1284/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 PPARA 2626/4885SYK 948/4885CTSS 1284/4885
US-20200155694-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME CSGALNACT1, CD44, GUSB PPARA 2841/4885SYK 2962/4885CTSS 368/4885
US-10675354-B2 Glycosaminoglycan derivative and method for producing same CSGALNACT1, CD44, GUSB PPARA 2841/4885SYK 2962/4885CTSS 368/4885
US-20190184023-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME CSGALNACT1, CD44, GUSB PPARA 2841/4885SYK 2962/4885CTSS 368/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PPARA 690/4885SYK 4663/4885CTSS 3863/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PPARA 690/4885SYK 4663/4885CTSS 3863/4885

“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.