SCHEMBL4135548

SCHEMBL4135548

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.38
ATM Q13315 1/20 0.36
SGK1 O00141 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
BMP1 P13497 1/20 0.34
PIK3CA P42336 4/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5430576 0.83 RAB9A (0.38) ATMAAK1MEN1TSHRKMT2A
SCHEMBL4135952 0.78 TRPV4 (0.41) AAK1TRPV4
SCHEMBL4140203 0.78 ADAM17 (0.42) ADAM17ATMMEN1TSHRKMT2A
SCHEMBL4139656 0.78 TRPV4 (0.40) AAK1TRPV4
SCHEMBL4135552 0.74 CAPN1 (0.42) ADAM17AAK1BMP1
SCHEMBL4140210 0.73 BMP1 (0.45) ADAM17ATMMEN1TSHRKMT2A
SCHEMBL4140822 0.72 CCR1 (0.38) ADAM17SGK1BMP1PIK3CATRPV4
SCHEMBL4141981 0.72 CCR1 (0.37) ADAM17SGK1BMP1PIK3CATRPV4
SCHEMBL4130640 0.72 AAK1 (0.36) AAK1
SCHEMBL5439621 0.71 CCR1 (0.38) ADAM17ATMTSHRBMP1TRPV4

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 1 patent. 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

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 ADAM17 2364/4885ATM 4509/4885SGK1 2594/4885

“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.