SCHEMBL4140210

SCHEMBL4140210

CC(C)C[C@H](N)C(=O)NCC[C@H](O)CNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.45
ADAM17 P78536 1/20 0.42
ATM Q13315 1/20 0.39
TRPV4 Q9HBA0 2/20 0.38
LARS1 Q9P2J5 3/20 0.37
CTSL P07711 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
CCR1 P32246 1/20 0.35
PIK3CA P42336 1/20 0.35
GBA1 P04062 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13872427 0.83 HTT (0.45) BMP1ADAM17ATMTRPV4MEN1
SCHEMBL4140203 0.83 ADAM17 (0.42) BMP1ADAM17ATMTRPV4CTSL
SCHEMBL4135643 0.82 TRPV4 (0.47) TRPV4LARS1HTT
SCHEMBL4135552 0.82 CAPN1 (0.42) BMP1ADAM17CTSL
SCHEMBL3915580 0.81 RAB9A (0.42) ATMTRPV4LARS1MEN1TSHR
SCHEMBL4144861 0.80 TRPV4 (0.59) BMP1TRPV4CTSL
SCHEMBL4135102 0.80 TRPV4 (0.59) BMP1TRPV4CTSL
SCHEMBL3924149 0.76 TRPV4 (0.55) BMP1ADAM17TRPV4LARS1CTSL
SCHEMBL5447807 0.75 GBA1 (0.59) ATMTRPV4PER2CRY1CRY2
SCHEMBL5447814 0.75 GBA1 (0.59) ATMTRPV4PER2CRY1CRY2

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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP 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 BMP1 2172/4885ADAM17 2364/4885ATM 4509/4885

“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.