SCHEMBL21872115

SCHEMBL21872115

COc1cc(C)cc(C)c1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.46
ACHE P22303 2/20 0.43
ALDH1A1 P00352 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 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
SCHEMBL28340937 0.90 ACHE (0.48) RAPGEF4ACHEALDH1A1FFAR4TRPV4
SCHEMBL7608 0.81 CA1 (0.52) RAPGEF4ALDH1A1CA1CA2MMP1
SCHEMBL3231527 0.79 RAPGEF4 (0.45) RAPGEF4ACHEALDH1A1FFAR4CA1
SCHEMBL248149 0.78 NMT1 (0.50) RAPGEF4ACHEF2TRPV4SMN1; SMN2
SCHEMBL4420745 0.78 ACHE (0.45) RAPGEF4ACHEALDH1A1FFAR4TRPV4
SCHEMBL11655127 0.76 EPHX2 (0.43) ACHEALDH1A1CA1CA2TRPV4
SCHEMBL10641963 0.74 PKM (0.49) ALDH1A1FFAR4TRPV4SMN1; SMN2MEN1
SCHEMBL111919 0.74 ACHE (0.48) RAPGEF4ACHEALDH1A1FFAR4CA1
SCHEMBL8062665 0.74 SMN1; SMN2 (0.52) RAPGEF4ACHEALDH1A1FFAR4CA1
SCHEMBL2496728 0.74 CYP1A2 (0.47) ACHEALDH1A1CA1CA2TRPV4

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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 RAPGEF4 2631/4885ACHE 4258/4885ALDH1A1 2980/4885

“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.