SCHEMBL25878989

SCHEMBL25878989

CC(C)(C)c1ccc(C(C)(C)CS)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.35
ALDH1A1 P00352 5/20 0.34
DGAT1 O75907 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 1/20 0.32
KIF11 P52732 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
TYR P14679 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL25568917 0.84 ALDH1A1 (0.36) LOXL2ALDH1A1DGAT1RAB9ANPC1
SCHEMBL15499726 0.82 LOXL2 (0.36) LOXL2ALDH1A1RAB9ANPC1TSHR
SCHEMBL24926664 0.79 ALDH1A1 (0.37) LOXL2ALDH1A1DGAT1RAB9ANPC1
SCHEMBL701703 0.79 TSHR (0.46) LOXL2ALDH1A1DGAT1RAB9ANPC1
SCHEMBL29754040 0.79 TSHR (0.46) LOXL2ALDH1A1DGAT1RAB9ANPC1
SCHEMBL24926243 0.78 TSHR (0.34) LOXL2ALDH1A1RAB9ANPC1TSHR
SCHEMBL20712281 0.78 ALDH1A1 (0.38) LOXL2ALDH1A1DGAT1RAB9ANPC1
SCHEMBL26803770 0.75 RAB9A (0.33) LOXL2ALDH1A1RAB9ANPC1LMNA
SCHEMBL20793240 0.74 MMP13 (0.45) CA1CA2LMNAATMMAPT
SCHEMBL77362 0.74 TRPV4 (0.54) LOXL2ALDH1A1TSHRLMNAKIF11

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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 LOXL2 2977/4885ALDH1A1 1813/4885DGAT1 4284/4885

“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.