SCHEMBL312837

SCHEMBL312837

Cc1cc(C(=O)O)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MYC P01106 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM1 Q13255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
TTR P02766 2/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
SRD5A2 P31213 2/20 0.44
KIF11 P52732 1/20 0.44
NOTUM Q6P988 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30182007 1.00 TSHR (0.47) TSHRMYCESR1ALOX15PTPN7
SCHEMBL5354014 0.85 TSHR (0.45) TSHRMYCESR1ALOX15PTPN7
SCHEMBL29528380 0.85 TAS2R14 (0.50) TSHRMYCESR1ALOX15PTPN7
SCHEMBL374174 0.85 TAS2R14 (0.50) TSHRMYCESR1ALOX15PTPN7
SCHEMBL312657 0.85 KIF11 (0.56) MEN1CYP1A2KMT2AKIF11NOTUM
SCHEMBL18275139 0.84 TSHR (0.44) TSHRMYCESR1ALOX15PTPN7
SCHEMBL171490 0.83 AR (0.45) CYP1A2KIF11NOTUMALDH1A1
SCHEMBL15385132 0.83 NOTUM (0.42) MEN1CYP1A2KMT2ARXRARXRB
SCHEMBL5214177 0.82 EPHX2 (0.49) TSHRMYCESR1ALOX15PTPN7
SCHEMBL31319449 0.82 RXRA (0.48) TSHRTTRRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1515541-A Method for detecting ligand pair combination by using non-fluorescent marker and its composite ռ�˹ 2004-07-28 CN claimed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN claimed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
US-20240342185-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (cGAS) SHANGPHARMA INNOVATION INC. 2024-10-17 US disclosed
CN-116003309-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-25 CN disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 US disclosed
WO-2021067791-A1 OXALAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
CN-108017612-B Preparation method of canagliflozin intermediate 南通常佑药业科技有限公司 2020-06-09 CN disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
CN-1616432-A Compound,its use and pharmaceutical compositions comprising same ELAN PHARM INC (US) 2005-05-18 CN disclosed
CN-1171878-C Compounds, their use and pharmaceutical compositions containing them ������˹ҩƷ��˾ 2004-10-20 CN disclosed
CN-1515541-A Method for detecting ligand pair combination by using non-fluorescent marker and its composite ռ�˹ 2004-07-28 CN disclosed
CN-1159452-C Methods and compositions for detecting ligand pair binding using non-fluorescent labels �Ѹ�������ѧ��˾ 2004-07-28 CN disclosed
CN-1155586-C Substituted benzylthiazolidine-2,4-dione derivatives ������ҩ��ʽ���� 2004-06-30 CN disclosed
CN-1382129-A Substituted benzylthiazolidine-2,4-dione derivatives KYORIN SEIYAKU KK (JP) 2002-11-27 CN disclosed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN disclosed
CN-1212019-A Methods and compositions for detecting ligand pair binding using non-fluorescent labels RAPIGENE INC (US) 1999-03-24 CN 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 TSHR 412/4885MYC 4366/4885ESR1 3648/4885
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TSHR 4487/4885MYC 143/4885ESR1 1106/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 TSHR 294/4885MYC 2112/4885ESR1 526/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 TSHR 2456/4885MYC 4666/4885ESR1 3684/4885
US-20240342185-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (cGAS) CGAS, GMPS, PRKG1 TSHR 3611/4885MYC 3030/4885ESR1 3550/4885

“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.