SCHEMBL4131122

SCHEMBL4131122

CC(C)C[C@H](NC(=O)CC1CCSCC1)C(=O)NCCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.47
BMP1 P13497 1/20 0.45
CTSL P07711 5/20 0.41
TRPV4 Q9HBA0 1/20 0.40
CCR1 P32246 1/20 0.40
ADAM17 P78536 1/20 0.39
CACNA1B Q00975 2/20 0.36
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
ANPEP P15144 2/20 0.34
FPR2 P25090 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL4141710 0.93 CAPN1 (0.49) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4142973 0.92 CAPN1 (0.48) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL5429199 0.91 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4128798 0.89 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4130820 0.85 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL5439623 0.84 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4129767 0.84 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4136304 0.83 CAPN1 (0.53) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL4127287 0.83 CAPN1 (0.47) CAPN1BMP1CTSLTRPV4CCR1
SCHEMBL5437700 0.82 MEN1 (0.45) CAPN1BMP1CTSLTRPV4CCR1

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 3 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 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

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 2172/4885CTSL 3815/4885

“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.