SCHEMBL16110345

SCHEMBL16110345

CC(C)(C)OC(=O)c1cccc([C@@H]2C[C@H]2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
ALOX15 P16050 1/20 0.39
KDM1A O60341 11/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
STAT3 P40763 1/20 0.36
RORC P51449 1/20 0.36
HTR7 P34969 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL16110343 1.00 SLC7A5 (0.42) SLC7A5ALOX15KDM1AMAOBMAOA
SCHEMBL9886406 1.00 SLC7A5 (0.42) SLC7A5ALOX15KDM1AMAOBMAOA
SCHEMBL29162265 0.83 KDM1A (0.53) SLC7A5KDM1AMAOBMAOA
SCHEMBL9103100 0.80 KMO (0.51) KDM1AMAOBMAOA
SCHEMBL13026715 0.76 PARP1 (0.59) SLC7A5ALOX15KDM1AMAOBSTAT3
SCHEMBL110296 0.75 SLC7A5 (0.58) SLC7A5ALOX15STAT3GABRA1GABRG2
Water SCHEMBL28897664 0.74 SLC7A5 (0.56) SLC7A5ALOX15STAT3GABRA1GABRG2
Hydrogen Peroxide SCHEMBL27146001 0.74 SLC7A5 (0.60) SLC7A5ALOX15STAT3GABRA1GABRG2
SCHEMBL28350987 0.74 SLC7A5 (0.56) SLC7A5ALOX15STAT3GABRA1GABRG2
SCHEMBL24890704 0.74 DGAT2 (0.44) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108990-B2 Cyclopropyl MIDA boronate RIGEL PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140296557-A1 Cyclopropyl MIDA Boronate MIDCAP FINANCIAL TRUST 2014-10-02 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-20140296557-A1 Cyclopropyl MIDA Boronate MB, MMAB, MDK SLC7A5 1318/4885ALOX15 3848/4885KDM1A 1354/4885

“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.