SCHEMBL13544487

SCHEMBL13544487

CC(C)(C)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C9 P11712 1/20 0.47
PARG Q86W56 1/20 0.47
WDR5 P61964 1/20 0.43
FABP4 P15090 2/20 0.42
FABP5 Q01469 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL13544688 0.88 MAPT (0.47) CYP3A4ALDH1A1LMNAMAPTKDM4E
SCHEMBL13542958 0.87 MAPT (0.46) CYP3A4ALDH1A1LMNAMAPTKDM4E
SCHEMBL9321844 0.86 CYP3A4 (0.50) CYP3A4ALDH1A1LMNAHSD17B10MAPT
SCHEMBL13684803 0.85 MAPT (0.45) CYP3A4ALDH1A1LMNAMAPTKDM4E
SCHEMBL13543494 0.83 CYP3A4 (0.52) CYP3A4ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL29602365 0.83 CYP3A4 (0.52) CYP3A4ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL3524423 0.82 LMNA (0.62) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL20988223 0.80 KMT2A (0.56) CYP3A4ALDH1A1LMNAMAPTKDM4E
SCHEMBL15848088 0.80 MAPT (0.61) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL3723358 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 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-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C CYP3A4 4808/4885ALDH1A1 2609/4885LMNA 2893/4885

“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.