SCHEMBL3718580

SCHEMBL3718580

O=S(=O)(Oc1cccnc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAPRT Q6XQN6 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
GRM2 Q14416 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL29462392 1.00 PTGS1 (0.46) PTGS1PTGS2LMNATDP1NAPRT
Acetic Acid SCHEMBL27845068 0.92 KMT2A (0.42) PTGS1PTGS2LMNATDP1SMN1; SMN2
SCHEMBL9172136 0.82 CA1 (0.51) CYP11B1CYP11B2CA12CA1CA2
SCHEMBL9097130 0.81 LMNA (0.47) LMNATDP1NAPRTSMN1; SMN2FFAR4
SCHEMBL1772727 0.78 TBXAS1 (0.43) NAPRTGRM2
SCHEMBL780030 0.78 CA1 (0.56) PTGS1PTGS2LMNATDP1CA1
SCHEMBL8821206 0.78 CA1 (0.56) PTGS1PTGS2LMNATDP1CA1
SCHEMBL31328185 0.77 NAPRT (0.52) LMNATDP1NAPRTCHRNB2CHRNA4
SCHEMBL3242246 0.77 LMNA (0.47) PTGS1PTGS2LMNATDP1NAPRT
SCHEMBL7081228 0.77 LMNA (0.47) LMNATDP1NAPRTSMN1; SMN2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025094700-A1 TRIFLUOROMETHANESULFONATING AGENT COMPOSITION AND METHOD FOR PRODUCING TRIFLUOROMETHANESULFONYLOXY COMPOUND 学校法人神戸薬科大学 2025-05-08 WO disclosed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
CN-117567453-A Benzazepine analogs as inhibitors of bruton's tyrosine kinase 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
CN-110621670-B Benzazepine analogs as inhibitors of bruton's tyrosine kinase 比奥根MA公司 2023-09-15 CN disclosed
CN-116507337-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-07-28 CN disclosed
WO-2023138621-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-07-27 WO disclosed
EP-4192836-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-06-14 EP disclosed
WO-2022237825-A1 AZAARYL DERIVATIVE WITH EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-11-17 WO disclosed
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PTGS1 4627/4885PTGS2 4413/4885LMNA 4663/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR PTGS1 4627/4885PTGS2 4413/4885LMNA 4663/4885

“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.