SCHEMBL24325432

SCHEMBL24325432

Cc1cccc(C)c1-c1cc(Cl)nc(NS(=N)(=O)c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC(O)C3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.38
STS P08842 2/20 0.36
IDH1 O75874 2/20 0.35
EPHX2 P34913 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH2 P48735 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
SCHEMBL29571083 1.00 TGFBR1 (0.38) TGFBR1STSIDH1EPHX2GPR55
SCHEMBL29570536 0.93 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29571019 0.93 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24326087 0.93 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24326268 0.93 TGFBR1 (0.43) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24326411 0.90 TGFBR1 (0.42) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL29570518 0.90 TGFBR1 (0.42) TGFBR1STSLMNAPOLBSMN1; SMN2
SCHEMBL24325433 0.83 EPHX2 (0.37) IDH1EPHX2POLBKMT2A
SCHEMBL24326078 0.83 EPHX2 (0.37) IDH1EPHX2POLBKMT2A
SCHEMBL24325731 0.82 LMNA (0.40) LMNAPOLBSMN1; SMN2HTTKMT2A

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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B TGFBR1 532/4885STS 3208/4885IDH1 3403/4885

“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.