Sugi Predict

Sugi Predict / Compounds / SCHEMBL6925841

SCHEMBL6925841

SCHEMBL6925841

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.63
▸ MAPK1 P28482 4/20 0.63
▸ HTT P42858 1/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL3618153 0.87 TSHR (0.68) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL20592845 0.86 TSHR (0.56) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL13625394 0.85 TSHR (0.66) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL30031981 0.85 TSHR (0.66) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL14140686 0.84 MAPK1 (0.49) TSHRMAPK1HTTNPSR1POLB
SCHEMBL30033281 0.84 TSHR (0.54) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL31079057 0.84 TSHR (0.64) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL31079023 0.84 TSHR (0.64) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL866071 0.84 TSHR (0.64) TSHRMAPK1HTTNPSR1MAPT
SCHEMBL5816392 0.83 POLB (0.55) TSHRMAPK1HTTNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699106-B Novel trifluoromethylpropionamide derivatives as HTRA1 inhibitors 豪夫迈·罗氏有限公司 2021-11-30 — — CN disclosed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 — — US disclosed
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 — — US disclosed
EP-3423469-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-01-09 — — EP disclosed
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-12-27 — — US disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F TSHR 164/4885MAPK1 2757/4885HTT 24/4885
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR3E, HTR1F TSHR 164/4885MAPK1 2757/4885HTT 24/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI TSHR 545/4885MAPK1 1622/4885HTT 1091/4885

“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.