SCHEMBL688320

SCHEMBL688320

O=S(=O)(Nc1cc[c]cc1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.61
PTPN1 P18031 1/20 0.58
CA2 P00918 12/20 0.56
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA1 P00915 8/20 0.50
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
PPARA Q07869 3/20 0.38
PPARG P37231 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
Lithium Ion SCHEMBL28738648 0.93 PTPN11 (0.54) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL216185 0.78 PTPN1 (0.62) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL27514473 0.78 KDM1A (0.59) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL1419244 0.77 CA2 (0.53) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL1976973 0.77 PTPN1 (0.60) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL7527132 0.77 PTPN1 (0.66) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL28665290 0.77 PTPN1 (0.60) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL7528321 0.76 PTPN11 (0.79) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL20526154 0.76 PTPN11 (0.49) PTPN11PTPN1CA2MAPK1SMN1; SMN2
SCHEMBL6232580 0.76 PTPN11 (0.34) PTPN11PTPN1CA2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146922-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID DOMPE' FARMACEUTICI SPA (IT) 2024-07-11 WO claimed
EP-4397306-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID Dompe' Farmaceutici S.P.A. (IT) 2024-07-10 EP claimed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US claimed
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP claimed
CN-117337176-A C5AR1 inhibitors for treating hypersensitivity to taxanes 东佩制药股份公司 2024-01-02 CN claimed
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN DOMPE' FARMACEUTICI S.P.A. (IT) 2020-12-24 US claimed
EP-3723744-A2 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN Dompé farmaceutici S.p.A. (IT) 2020-10-21 EP claimed
CN-111511363-A C5aR inhibitors for the treatment of chemotherapy-induced iatrogenic pain 多姆皮制药公司 2020-08-07 CN claimed
WO-2019115493-A2 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN DOMPE' FARMACEUTICI S.P.A. (IT) 2019-06-20 WO claimed
EP-3498269-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN Dompé farmaceutici S.p.A. (IT) 2019-06-19 EP claimed
WO-2007060215-A2 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2007-05-31 WO claimed
CN-1882530-A Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2006-12-20 CN claimed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US claimed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP claimed
EP-1565430-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL CO. INC. (US) 2005-08-24 EP claimed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO claimed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP claimed
US-20040116428-A1 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. 2004-06-17 US claimed
WO-2004048320-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2004-06-10 WO claimed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed

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-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES C5AR1, C5AR2, C3AR1 PTPN11 3417/4885PTPN1 3009/4885CA2 3909/4885
US-20200397725-A1 C5AR INHIBITORS FOR USE IN THE TREATMENT OF CHEMOTHERAPY-INDUCED IATROGENIC PAIN C5AR2, C5AR1, C3AR1 PTPN11 1610/4885PTPN1 2498/4885CA2 1317/4885
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 PTPN11 127/4885PTPN1 115/4885CA2 565/4885

“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.