SCHEMBL4889722

SCHEMBL4889722

CC(C)CCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.31

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
Ammonia Solution, Strong SCHEMBL25246498 0.98 CA2 (0.38) CA2CA1ALDH1A1MAPK1
SCHEMBL5881249 0.88 CA2 (0.37) CA2CA1ALDH1A1
SCHEMBL31222712 0.85 LMNA (0.43) CA2CA1
SCHEMBL31222702 0.85 LMNA (0.43) CA2CA1
SCHEMBL576011 0.82 CA2 (0.36) CA2CA1
SCHEMBL19101965 0.82 CA2 (0.36) CA2CA1
SCHEMBL24362707 0.80 CA2 (0.40) CA2CA1
SCHEMBL1032931 0.78 CA2 (0.47) CA2CA1
SCHEMBL28304895 0.78 CA2 (0.36) CA2CA1
SCHEMBL780303 0.77 CA2 (0.35) CA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN disclosed
CN-106008282-B The synthetic method of trifluoromethane sulfonic acid ester 中国科学院上海有机化学研究所 2018-01-23 CN disclosed
CN-106008282-A Method for synthesizing trifluoromethanesulfonate 中国科学院上海有机化学研究所 2016-10-12 CN disclosed
US-20080227774-A1 5,5-DISUBSTITUTED-INDOLIZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2008-09-18 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 (2 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-20080227774-A1 5,5-DISUBSTITUTED-INDOLIZINONE COMPOUNDS CYP3A5, IPO5, IDO1 CA2 4683/4885CA1 4842/4885ALDH1A1 372/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 CA2 2222/4885CA1 2437/4885ALDH1A1 1218/4885

“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.