SCHEMBL19837726

SCHEMBL19837726

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.36
LOX P28300 1/20 0.35
ACACB O00763 1/20 0.33
MGLL Q99685 1/20 0.33
FAAH O00519 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32

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
SCHEMBL19846702 1.00 LOXL2 (0.36) LOXL2LOXACACBMGLLFAAH
SCHEMBL18019737 1.00 LOXL2 (0.36) LOXL2LOXACACBMGLLFAAH
SCHEMBL19837727 1.00 LOXL2 (0.36) LOXL2LOXACACBMGLLFAAH
SCHEMBL17981983 1.00 LOXL2 (0.36) LOXL2LOXACACBMGLLFAAH
SCHEMBL2715369 0.81 EPHX2 (0.38) ACACB
SCHEMBL2715368 0.81 EPHX2 (0.38) ACACB
SCHEMBL2715364 0.81 EPHX2 (0.38) ACACB
SCHEMBL28399799 0.81 EPHX2 (0.38) ACACB
SCHEMBL19837723 0.81 AAK1 (0.33)
SCHEMBL18019704 0.81 AAK1 (0.33)

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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 LOXL2 1148/4885LOX 305/4885ACACB 739/4885

“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.