SCHEMBL20535944

SCHEMBL20535944

Cc1ccc(S(=O)(=O)OCC2CCCC(O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
STAT3 P40763 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.36
MMP1 P03956 1/20 0.35
ADAM17 P78536 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
SCHEMBL15465513 0.87 STAT3 (0.42) CYP2D6ENPP3ENPP1ENPP2STAT3
SCHEMBL283868 0.87 ACHE (0.46) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL6589903 0.84 ACHE (0.43) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL6589912 0.84 ACHE (0.43) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL6591405 0.84 ACHE (0.43) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL6589899 0.84 ACHE (0.43) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL6591412 0.84 ACHE (0.43) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL15727900 0.84 CYP2D6 (0.43) CYP2D6ACHETSHRENPP3ENPP1
SCHEMBL79261 0.84 ALDH1A1 (0.46) CYP2D6ACHETSHRPOLBENPP3
SCHEMBL5524690 0.82 CYP2D6 (0.43) CYP2D6TSHRENPP3ENPP1ENPP2

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-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 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 (2 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS CYP2D6 2143/4885ACHE 2431/4885TSHR 3440/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS CYP2D6 2752/4885ACHE 4672/4885TSHR 3540/4885

“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.