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Sugi Predict / Compounds / SCHEMBL4130820

SCHEMBL4130820

SCHEMBL4130820

CC(C)C[C@H](NC(=O)CCC1CCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.47
▸ BMP1 P13497 1/20 0.43
▸ CCR1 P32246 1/20 0.42
▸ CTSL P07711 2/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ REN P00797 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ PI4KB Q9UBF8 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ KLK7 P49862 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35

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
SCHEMBL4129767 0.99 CAPN1 (0.47) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL5439623 0.95 CAPN1 (0.47) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL5434781 0.94 CAPN1 (0.44) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL5434829 0.93 CAPN1 (0.44) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL4141710 0.92 CAPN1 (0.49) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL4147709 0.92 TRPV4 (0.44) CAPN1CCR1CTSLBCHEREN
SCHEMBL4140786 0.91 TRPV4 (0.44) CAPN1CCR1CTSLBCHEREN
SCHEMBL4142973 0.91 CAPN1 (0.48) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL5429199 0.90 CAPN1 (0.47) CAPN1BMP1CCR1CTSLADAM17
SCHEMBL4131294 0.89 CAPN1 (0.47) CAPN1CTSLBCHERENCACNA1B

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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US claimed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 — — EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 — — US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CAPN1 2031/4885BMP1 2172/4885CCR1 766/4885

“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.