SCHEMBL252131

SCHEMBL252131

C[C@@H](C(=O)NCCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.56
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
CXCR1 P25024 1/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL2556708 1.00 CXCR2 (0.56) CXCR2DRD2DRD3CXCR1TP53
Hydrochloric Acid SCHEMBL253136 0.99 CXCR2 (0.55) CXCR2DRD2DRD3CXCR1TP53
SCHEMBL251855 0.99 CXCR2 (0.55) CXCR2DRD2DRD3CXCR1TP53
SCHEMBL252140 0.99 CXCR2 (0.55) CXCR2DRD2DRD3CXCR1TP53
Hydrochloric Acid SCHEMBL5569882 0.98 CXCR2 (0.54) CXCR2DRD2DRD3CXCR1TP53
Hydrochloric Acid SCHEMBL251520 0.98 CXCR2 (0.54) CXCR2DRD2DRD3CXCR1TP53
SCHEMBL252769 0.94 CXCR2 (0.58) CXCR2DRD2DRD3CXCR1CYP2D6
SCHEMBL253752 0.94 CXCR2 (0.58) CXCR2DRD2DRD3CXCR1CYP2D6
Hydrochloric Acid SCHEMBL253016 0.93 CXCR2 (0.57) CXCR2DRD2DRD3CXCR1CYP2D6
SCHEMBL13437620 0.80 DRD2 (0.45) DRD2DRD3MAPTLMNAACHE

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 24 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
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP claimed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US claimed
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2012-01-05 US claimed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US claimed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP claimed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US claimed
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 disclosed
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 disclosed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US disclosed
EP-4308114-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES Dompe' Farmaceutici SpA (IT) 2024-01-24 EP disclosed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US disclosed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US disclosed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP disclosed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US disclosed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US disclosed
WO-2008110351-A2 USE OF (R) AND (S)-2-ARYL-PROPIONIC ACID DERIVATIVES AS ANTISEPTIC AGENTS DOMPE' PHA.R.MA S.P.A. (IT) 2008-09-18 WO disclosed
EP-1776336-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-04-25 EP disclosed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 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-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES C5AR1, C5AR2, C3AR1 CXCR2 210/4885DRD2 3045/4885DRD3 3195/4885
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them CXCR2, CXCR3, MMP8 CXCR2 1/4885DRD2 2331/4885DRD3 2660/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 CXCR2 1/4885DRD2 2331/4885DRD3 2660/4885

“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.