SCHEMBL22199599

SCHEMBL22199599

CC(C)SCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
EPHX1 P07099 3/20 0.42
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
NOS1 P29475 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 4/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12510871 0.88 EPHX1 (0.44) ALDH1A1EPHX1MAOANOS1CYP1A2
SCHEMBL12885481 0.82 IDO1 (0.47) CYP3A4MEN1KMT2ANPC1RAB9A
SCHEMBL28022210 0.82 HRH3 (0.44) LOXL2EPHX1MAOANOS1
SCHEMBL21186074 0.79 EPHX1 (0.39) GFERMEN1KMT2ANPC1RAB9A
SCHEMBL13169184 0.79 IDO1 (0.47) ALDH1A1TDP1RAB9AEPHX1CYP1A2
SCHEMBL23709622 0.77 SLC6A2 (0.48) ALDH1A1CYP3A4MEN1KMT2ANPC1
SCHEMBL20666019 0.77 IDO1 (0.45) ALDH1A1NPC1RAB9ALOXL2EPHX1
SCHEMBL12885483 0.77 BCHE (0.42) NPC1RAB9AEPHX1IDO1MAPT
SCHEMBL560907 0.76 PPARG (0.45) CYP3A4MAOACYP1A2CYP2D6
SCHEMBL6571608 0.74 SLC6A4 (0.52) ALDH1A1CYP3A4TSHREPHX1MAOB

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-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-09-28 US disclosed
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2020-07-09 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 (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-11129910-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH ALDH1A1 743/4885TDP1 3693/4885GFER 323/4885
US-20200215206-A1 SPECIFIC CONJUGATION LINKERS, SPECIFIC IMMUNOCONJUGATES THEREOF, METHODS OF MAKING AND USES SUCH CONJUGATES THEREOF SLC25A1, GCDH, FH ALDH1A1 743/4885TDP1 3693/4885GFER 323/4885

“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.