SCHEMBL5434636

SCHEMBL5434636

CC(C)C[C@H](NC(=O)C1CCCC1)C(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.51
BMP1 P13497 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 1/20 0.43
CCR1 P32246 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.41
ADAM17 P78536 1/20 0.41
CACNA1B Q00975 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
NPC1 O15118 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL4136304 0.98 CAPN1 (0.53) CAPN1BMP1MAPK1SMN1; SMN2CTSL
SCHEMBL5429199 0.89 CAPN1 (0.47) CAPN1BMP1SMN1; SMN2CTSLCCR1
SCHEMBL4142864 0.87 CAPN1 (0.51) CAPN1BMP1MAPK1SMN1; SMN2CTSL
SCHEMBL4141710 0.87 CAPN1 (0.49) CAPN1BMP1SMN1; SMN2CTSLCCR1
SCHEMBL4142973 0.86 CAPN1 (0.48) CAPN1BMP1SMN1; SMN2CTSLCCR1
SCHEMBL5434781 0.86 CAPN1 (0.44) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4130820 0.86 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL4127287 0.86 CAPN1 (0.47) CAPN1BMP1CTSLCCR1EPHX2
SCHEMBL5439623 0.85 CAPN1 (0.47) CAPN1BMP1CTSLCCR1ADAM17
SCHEMBL5434829 0.85 CAPN1 (0.44) CAPN1BMP1CTSLCCR1ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US claimed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 CAPN1 2884/4885BMP1 1833/4885MAPK1 1428/4885

“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.