SCHEMBL997814

SCHEMBL997814

O=C(O)C(O)(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.42
CES1 P23141 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40

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
SCHEMBL9888570 1.00 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL30450959 1.00 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL583285 1.00 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL583794 0.87 CYP1A2 (0.43) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL1933910 0.85 CYP1A2 (0.54) CYP1A2PTPN1ALDH1A1TSHRCYP2C9
SCHEMBL30940437 0.83 CYP1A2 (0.52) CYP1A2PTPN1ALDH1A1TSHRCYP2C9
SCHEMBL404851 0.83 MAPK1 (0.46) MAPK1NPC1RAB9APTPN1ALDH1A1
SCHEMBL30031482 0.83 KCNN4 (0.45) MAPK1NPC1RAB9AALDH1A1CES1
SCHEMBL2398996 0.83 MAPT (0.50) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL4454875 0.83 KCNN4 (0.45) MAPK1NPC1RAB9AALDH1A1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
EP-3526203-B1 N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-09-22 EP disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 US disclosed
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-03-30 US disclosed
US-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2021-01-19 US disclosed
EP-3383853-B1 HOMOBISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR (LXR) BETA AGONISTS FOR TREATING E.G. ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2020-11-04 EP disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 WO disclosed
EP-1163226-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-12-19 EP disclosed
EP-1147088-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
EP-1147087-A1 PHENANTHRIDINE-N-OXIDES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
WO-2000042017-A1 PHENANTHRIDINE-N-OXIDES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
WO-2000042018-A1 POLYSUBSTITUTED 6-PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed
WO-2000042019-A1 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 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 (5 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-10894775-B2 Piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, ADRB1 CYP1A2 169/4885MAPK1 2443/4885NPC1 66/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 CYP1A2 2074/4885MAPK1 344/4885NPC1 3715/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI CYP1A2 2628/4885MAPK1 1622/4885NPC1 2347/4885
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 CYP1A2 81/4885MAPK1 1066/4885NPC1 31/4885
US-10961215-B2 N-aryl and N-heteroaryl piperidine derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 CYP1A2 63/4885MAPK1 2652/4885NPC1 17/4885

“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.