Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042420

SCHEMBL4042420

SCHEMBL4042420

CCCC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.46
▸ PREP P48147 2/20 0.37
▸ FAP Q12884 2/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ CCR1 P32246 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ CTSS P25774 3/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CTSV O60911 2/20 0.34
▸ CTSL P07711 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SLC5A7 Q9GZV3 1/20 0.33

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
SCHEMBL4039999 0.94 CTSK (0.54) CTSKPREPFAPCCR1CTSS
SCHEMBL4053232 0.93 CTSK (0.48) CTSKPREPFAPCCR1CTSS
SCHEMBL4041699 0.92 CTSK (0.56) CTSKCCR1RORCCTSSCTSL
SCHEMBL4041378 0.92 CTSK (0.44) CTSKPREPFAPCCR1CTSS
SCHEMBL4039557 0.92 CTSK (0.42) CTSKPREPFAPCCR1CTSS
SCHEMBL4040706 0.91 CTSK (0.45) CTSKPREPFAPCCR1CTSS
SCHEMBL4044041 0.90 CTSK (0.43) CTSKPREPFAPCCR1KDM1A
SCHEMBL4042848 0.90 CTSK (0.54) CTSKPREPFAPMCHR1CCR1
SCHEMBL4040898 0.90 RAB9A (0.42) CTSKPREPFAPCCR1CTSS
SCHEMBL4045232 0.89 CTSK (0.44) CTSKPREPFAPCCR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US claimed
EP-1697333-A4 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO INC (US) 2009-07-08 — — EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP disclosed
EP-1697333-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-09-06 — — EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 — — US disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 — — 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885PREP 1823/4885FAP 3455/4885

“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.