SCHEMBL24326692

SCHEMBL24326692

CC(C)CC[C@H]1C(=O)NC[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 1/20 0.36
ACE P12821 1/20 0.36
TACR1 P25103 2/20 0.36
POLB P06746 1/20 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
SCHEMBL24326693 1.00 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325780 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326128 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326179 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24326185 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325785 0.89 GAA (0.40) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325827 0.86 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24325824 0.86 SIGMAR1 (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL27006639 0.82 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL24326275 0.81 MAPT (0.41) SIGMAR1MAPTMEN1KMT2AALDH1A1

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 5 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
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 SIGMAR1 1818/4885MAPT 4857/4885MEN1 4491/4885

“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.