SCHEMBL10149368

SCHEMBL10149368

Cc1cc(C)cc(C(=O)OS(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
NR1I2 O75469 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 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
SCHEMBL10830951 0.87 CNR2 (0.36) TPMTMEN1KMT2ACNR2NPC1
SCHEMBL27937494 0.81 PARP1 (0.52) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL11868608 0.79 TDP1 (0.57) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL28711490 0.78 POLB (0.59) TDP1L3MBTL1HPGDCA12CA1
SCHEMBL9343106 0.75 POLB (0.50) RAB9ATDP1L3MBTL1ATMCA12
SCHEMBL2212388 0.75 TPMT (0.56) TPMTMEN1KMT2ACNR2NPC1
SCHEMBL11520841 0.75 TPMT (0.56) TPMTMEN1KMT2ACNR2NPC1
SCHEMBL26634469 0.75 MEN1 (0.54) TPMTMEN1KMT2A
SCHEMBL8519997 0.73 LMNA (0.53) KMT2ANPC1RAB9ACYP1A2CYP2D6
SCHEMBL10182557 0.73 MAPT (0.45) MEN1KMT2ATDP1

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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TPMT 1253/4885MEN1 698/4885KMT2A 964/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 TPMT 1253/4885MEN1 698/4885KMT2A 964/4885

“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.