SCHEMBL747074

SCHEMBL747074

CON(C)C(=O)C(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.52
BTK Q06187 1/20 0.52
CTSK P43235 12/20 0.41
CTSS P25774 6/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3745068 1.00 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL8228461 1.00 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL10095209 0.88 JAK3 (0.56) JAK3BTKCTSKCTSSCA1
SCHEMBL6631742 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL836446 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL836447 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCA1
SCHEMBL24325842 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCA1
SCHEMBL8382498 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCA1
SCHEMBL16690492 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCA1
SCHEMBL18575519 0.86 JAK3 (0.51) JAK3BTKCTSKCTSSCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113573779-A C10-alkylene substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-10-29 CN disclosed
EP-3277686-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-07-22 EP disclosed
US-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2018-09-11 US disclosed
WO-2018060484-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-04-05 WO disclosed
EP-3300736-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-04-04 EP disclosed
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-03-29 US disclosed
WO-2017203474-A1 PROCESS FOR PREPARATION OF SACUBUTRIL INTERMEDIATE DR. REDDY'S LABORATORIES LIMITED (IN) 2017-11-30 WO disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 US disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed
US-7829304-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2010-11-09 US disclosed
EP-2054429-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS Tranzyme Pharma, Inc. (US) 2009-05-06 EP disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 WO disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 US disclosed
WO-2005042481-A2 COMPOUNDS AND RELATED METHODS FOR MUTANT p53 REACTIVATION NORTHWESTERN UNIVERSITY (US) 2005-05-12 WO 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS JAK3 1663/4885BTK 253/4885CTSK 820/4885
US-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT JAK3 4563/4885BTK 239/4885CTSK 315/4885
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 JAK3 4205/4885BTK 4666/4885CTSK 1610/4885
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, BBOX1 JAK3 4533/4885BTK 150/4885CTSK 295/4885

“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.