SCHEMBL10239555

SCHEMBL10239555

Cc1c(C)c(S(=O)(=O)Nc2cccc3c2CCNC3)c(C)c2c1OC(C)(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
NMT1 P30419 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
HTR6 P50406 3/20 0.33
CD44 P16070 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33
MTOR P42345 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
Hydrochloric Acid SCHEMBL9957988 0.99 PLG (0.39) PLGF10PLAUKLKB1NMT1
SCHEMBL10240493 0.76 PKM (0.54) ALDH1A1LMNAHTTSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL9958322 0.75 PKM (0.53) ALDH1A1LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL18545144 0.71 PLG (0.41) PLGF10PLAUKLKB1HSP90AA1
SCHEMBL3700361 0.70 CD44 (0.49) NMT1ALDH1A1CD44KDM4EHPGD
Hydrochloric Acid SCHEMBL5751690 0.69 CD44 (0.47) NMT1ALDH1A1CD44KDM4EHPGD
Hydrochloric Acid SCHEMBL10356561 0.68 HTR6 (0.56) ALDH1A1LMNAHTTSMN1; SMN2HTR6
SCHEMBL10239546 0.68 ALDH1A1 (0.44) NMT1ALDH1A1LMNAHTTHTR6
SCHEMBL20782838 0.68 CD44 (0.53) NMT1ALDH1A1LMNAHTTHTR6
SCHEMBL8529805 0.68 PLG (0.39) PLGF10PLAUKLKB1HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 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-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 PLG 3921/4885F10 2935/4885PLAU 4525/4885

“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.