SCHEMBL17307265

SCHEMBL17307265

CC(C)(C)c1cc(N)ccc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
EPHX2 P34913 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
KLF10 Q13118 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 3/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
PRKCI P41743 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 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
SCHEMBL397154 0.90 PRKCI (0.39) TSHRGAAMAPK1MAPTHTT
SCHEMBL5377780 0.85 GAA (0.39) TSHRGAAMAPK1MAPTHTT
SCHEMBL21962181 0.80 ACE2 (0.43) TSHRGAAMAPK1MAPTHTT
SCHEMBL30987853 0.80 TSHR (0.44) TSHRGAAMAPK1MAPTHTT
SCHEMBL2379371 0.80 TSHR (0.44) TSHRGAAMAPK1MAPTHTT
SCHEMBL2579444 0.79 GAA (0.57) TSHRGAAMAPK1MAPTHTT
SCHEMBL29889088 0.79 GAA (0.57) TSHRGAAMAPK1MAPTHTT
SCHEMBL11709829 0.77 ACE2 (0.42) TSHRGAAMAPK1MAPTHTT
SCHEMBL1447610 0.77 KLF10 (0.47) TSHRGAAMAPTACE2EPHX2
SCHEMBL10611171 0.77 HSPA5 (0.47) TSHRMAPTHTTACE2POLB

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-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 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-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM TSHR 249/4885GAA 2655/4885MAPK1 1053/4885

“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.