SCHEMBL3146701

SCHEMBL3146701

C[C@@H](C(=O)Nc1ccncc1)c1ccccc1C(=O)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
TYK2 P29597 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL6284179 0.73 C5AR1 (0.39) HPGDPTGS2
Hydrochloric Acid SCHEMBL3259954 0.69 RAB9A (0.48) TYK2HTTLMNASMN1; SMN2JAK2
SCHEMBL3137705 0.68 PTGS1 (0.62) HPGDTYK2HTTLMNASMN1; SMN2
SCHEMBL3146705 0.67 PTGS1 (0.64) HPGDHTTLMNASMN1; SMN2PTGS2
SCHEMBL13255721 0.67 LMNA (0.56) HTTLMNASMN1; SMN2FFAR2
SCHEMBL1555620 0.67 TYK2 (0.65) TYK2HTTSMN1; SMN2JAK2POLB
SCHEMBL1555622 0.67 TYK2 (0.65) TYK2HTTSMN1; SMN2JAK2POLB
SCHEMBL7551617 0.66 KMT2A (0.55) HPGDHTTLMNASMN1; SMN2
SCHEMBL3152648 0.66 HPGD (0.61) HPGDTYK2HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6560012 0.66 TYK2 (0.63) TYK2HTTSMN1; SMN2JAK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 US disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 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 (1 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-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils CXCL8, MMP8, CCR8 HPGD 152/4885TYK2 3603/4885HTT 2969/4885

“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.