SCHEMBL4141985

SCHEMBL4141985

CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.46
CTSK P43235 7/20 0.45
CTSS P25774 6/20 0.45
CCR1 P32246 1/20 0.42
BMP1 P13497 1/20 0.42
REN P00797 1/20 0.40
CTSL P07711 4/20 0.40
ADAM17 P78536 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
MGLL Q99685 1/20 0.37
CACNA1B Q00975 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
SCHEMBL4140823 0.99 CAPN1 (0.46) CAPN1CTSKCTSSCCR1BMP1
SCHEMBL4135412 0.89 CAPN1 (0.45) CAPN1CTSKCTSSRENCTSL
SCHEMBL4142973 0.89 CAPN1 (0.48) CAPN1CTSSCCR1BMP1REN
SCHEMBL4129702 0.88 CAPN1 (0.45) CAPN1CTSKCTSSRENCTSL
SCHEMBL4141710 0.88 CAPN1 (0.49) CAPN1CTSKCTSSCCR1BMP1
SCHEMBL4129767 0.87 CAPN1 (0.47) CAPN1CCR1BMP1RENCTSL
SCHEMBL4130820 0.86 CAPN1 (0.47) CAPN1CTSSCCR1BMP1REN
SCHEMBL5429199 0.86 CAPN1 (0.47) CAPN1CTSKCTSSCCR1BMP1
SCHEMBL4128185 0.86 CAPN1 (0.46) CAPN1CTSSCCR1BMP1REN
SCHEMBL4136304 0.85 CAPN1 (0.53) CAPN1CTSKCTSSCCR1BMP1

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US 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 2031/4885CTSK 3473/4885CTSS 3772/4885

“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.