SCHEMBL3603136

SCHEMBL3603136

CCCCC(=O)NS(=O)(=O)N1CCc2ccccc2C1C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP12 P39900 3/20 0.38
MMP14 P50281 3/20 0.38
MMP15 P51511 3/20 0.38
MMP16 P51512 3/20 0.38
MMP26 Q9NRE1 3/20 0.38
MMP7 P09237 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL3608697 0.84 MMP8 (0.46) NR1I2MAPTPOLBSMN1; SMN2TSHR
SCHEMBL3597908 0.82 TP53 (0.46) NR1I2MAPTSMN1; SMN2TP53MMP1
SCHEMBL3607627 0.79 ACE (0.47) NR1I2MAPTPOLBSMN1; SMN2TSHR
SCHEMBL3607354 0.78 ACE (0.46) NR1I2MAPTPOLBSMN1; SMN2TSHR
SCHEMBL3605762 0.75 XIAP (0.42) NR1I2MAPTPOLBSMN1; SMN2TSHR
SCHEMBL3612848 0.71 XIAP (0.47) MAPTSMN1; SMN2TP53HTTLMNA
SCHEMBL3610424 0.70 XIAP (0.47) MAPTSMN1; SMN2HTTLMNANPSR1
SCHEMBL3609875 0.70 ACE (0.41) XIAP
SCHEMBL3610767 0.69 NR1I2 (0.44) NR1I2POLBSMN1; SMN2TSHRTP53
SCHEMBL3613865 0.68 NR1I2 (0.43) NR1I2POLBSMN1; SMN2TSHRTP53

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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT NR1I2 634/4885MAPT 260/4885POLB 1766/4885

“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.