SCHEMBL10169451

SCHEMBL10169451

CC(C)c1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.66
CYP2D6 P10635 1/20 0.66
HIF1A Q16665 1/20 0.66
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN5 P54829 1/20 0.43
USP5 P45974 1/20 0.43
KIF11 P52732 1/20 0.43
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TYR P14679 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ACE P12821 1/20 0.40
MAP4K4 O95819 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL3497043 0.84 MAPT (0.52) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL9577257 0.84 CYP2C9 (0.56) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL13312851 0.83 CYP2C9 (0.55) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL10426785 0.82 CYP2C9 (0.69) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL25500450 0.82 MAPT (0.59) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL17774470 0.79 CYP2D6 (0.50) CYP2C9CYP2D6HIF1APTPN5KIF11
SCHEMBL9641589 0.79 CYP2D6 (0.42) CYP2C9CYP2D6HIF1AAKR1C3AKR1C2
SCHEMBL262460 0.78 MAPT (0.48) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL697244 0.78 MAP4K4 (0.55) CYP2C9CYP2D6HIF1AMAPK1AKR1C3
Hydrogen Peroxide SCHEMBL2387288 0.78 CYP2C9 (0.57) CYP2C9CYP2D6HIF1AKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 US disclosed
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-05-21 US disclosed
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO. , LTD. (JP) 2018-05-24 US disclosed
US-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 US disclosed
US-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 US disclosed
US-9890119-B2 Indole and azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-02-13 US disclosed
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 US disclosed
US-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 US disclosed
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 US disclosed
US-9133186-B2 Hetero ring-fused imidazole derivative having AMPK activating effect SHIONOGI & CO., LTD. (JP) 2015-09-15 US disclosed
US-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT SHIONOGI & CO., LTD. (JP) 2013-07-18 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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 (10 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-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAB1 CYP2C9 3783/4885CYP2D6 4339/4885HIF1A 3649/4885
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, UACA CYP2C9 4553/4885CYP2D6 4605/4885HIF1A 3590/4885
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L CYP2C9 2501/4885CYP2D6 3219/4885HIF1A 401/4885
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT PRKAA1, PRKAA2, PRKAG1 CYP2C9 3483/4885CYP2D6 3827/4885HIF1A 883/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L CYP2C9 2501/4885CYP2D6 3219/4885HIF1A 401/4885
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS KDM1A, KDM1B, KDM2A CYP2C9 3276/4885CYP2D6 1343/4885HIF1A 942/4885
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors KDM1A, KDM1B, KDM2A CYP2C9 3276/4885CYP2D6 1343/4885HIF1A 942/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT CYP2C9 2492/4885CYP2D6 2691/4885HIF1A 3467/4885
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINB10 CYP2C9 4611/4885CYP2D6 4703/4885HIF1A 3797/4885
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG3 CYP2C9 3168/4885CYP2D6 4050/4885HIF1A 3785/4885

“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.