SCHEMBL331957

SCHEMBL331957

CCOC(=O)C(OCC)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 3/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
HMGCR P04035 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TP53 P04637 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL5892273 0.86 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL9377677 0.86 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL12631725 0.85 ALDH1A1 (0.34) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL25864135 0.84 ALDH1A1 (0.41) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL420551 0.84 ALDH1A1 (0.38) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL13537614 0.83 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL2637224 0.82 POLB (0.42) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL7103296 0.81 LPAR3 (0.43) TSHR
SCHEMBL584805 0.81 ALDH1A1 (0.41) CYP3A4CYP2C9CYP2C19POLBALDH1A1
SCHEMBL4339170 0.81 GAA (0.36) CYP3A4CYP2C9CYP2C19POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006291-B2 Processes for the preparation of 4,6,7-trifluoro-1H-indole-2-carboxylic acid ENANTA PHARMACEUTICALS, INC. (US) 2024-06-11 US disclosed
US-20230234922-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ENANTA PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230234922-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ENANTA PHARMACEUTICALS, INC. 2023-07-27 US disclosed
WO-2023137007-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ENANTA PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
US-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-05-25 US disclosed
EP-4054542-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS Board Of Trustees Of Michigan State University (US) 2022-09-14 EP disclosed
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US disclosed
US-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-20030232824-A1 Non-steroidal progesting SCHERING AG (DE) 2003-12-18 US disclosed
WO-2003075915-A1 5-}2-HYDROXY-3-`1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPYL!-PROPIONYLAMINO}- PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2003-09-18 WO disclosed
EP-1344776-A1 5- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -phtalide and 6- 2-hydroxy-3-[1-(3-trifluoromethylphenyl)-cyclopropyl]-propionylamino -4-methyl-2,3-benzoxazin-1-one derivatives with progesterone receptor modulating activity for use in fertility control, hormone replacement therapy and the treatment of gynecological disorders Schering Aktiengesellschaft (DE) 2003-09-17 EP disclosed
US-20020077356-A1 Nonsteroidal antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-5446035-A 20-methyl-substituted vitamin D derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-29 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 (7 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-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS GGPS1, DHPS, FDPS CYP3A4 19/4885CYP2C9 286/4885CYP2C19 118/4885
US-20020077356-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGES2, PTGES CYP3A4 441/4885CYP2C9 847/4885CYP2C19 612/4885
US-20030232824-A1 Non-steroidal progesting PGR, NR5A1, GPER1 CYP3A4 431/4885CYP2C9 493/4885CYP2C19 137/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 CYP3A4 952/4885CYP2C9 2186/4885CYP2C19 2209/4885
US-20230234922-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ACE2, HTR3C, SARS1 CYP3A4 10/4885CYP2C9 29/4885CYP2C19 40/4885
US-12006291-B2 Processes for the preparation of 4,6,7-trifluoro-1H-indole-2-carboxylic acid ACE2, HTR3C, SARS1 CYP3A4 10/4885CYP2C9 29/4885CYP2C19 40/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 CYP3A4 356/4885CYP2C9 745/4885CYP2C19 540/4885

“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.