SCHEMBL5434744

SCHEMBL5434744

CC(C)C[C@H](NC(=O)c1cnc(-c2cccc(Cl)c2)s1)C(=O)NCCCN(C)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.56
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 2/20 0.37
CTSL P07711 7/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL14388634 0.90 TRPV4 (0.59) TRPV4NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5434750 0.82 NPC1 (0.40) TRPV4NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5431334 0.81 TRPV4 (0.73) TRPV4RAB9ACTSBCTSSCTSK
SCHEMBL5449491 0.80 TRPV4 (0.54) TRPV4SMN1; SMN2ALDH1A1CTSLCTSB
SCHEMBL4136396 0.80 TRPV4 (0.70) TRPV4RAB9ACTSLCTSBCTSS
SCHEMBL5444152 0.80 TRPV4 (0.59) TRPV4ALDH1A1CTSLCTSBCTSS
SCHEMBL5441701 0.80 TRPV4 (0.57) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5429305 0.78 TRPV4 (0.63) TRPV4MAPTCTSLCTSBCTSS
SCHEMBL5434009 0.76 TRPV4 (0.53) TRPV4CTSLCTSBCTSSCTSK
SCHEMBL5435992 0.76 TRPV4 (0.52) TRPV4SMN1; SMN2ALDH1A1CTSLCTSB

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-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

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 TRPV4 1/4885NPC1 688/4885POLB 4849/4885

“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.