SCHEMBL12167652

SCHEMBL12167652

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)c4ccco4)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
ALDH1A1 P00352 6/20 0.66
MAPK1 P28482 3/20 0.66
ALOX15 P16050 3/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
LMNA P02545 6/20 0.63
GAA P10253 3/20 0.63
HTT P42858 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HPGD P15428 2/20 0.63
NPC1 O15118 1/20 0.63
TSHR P16473 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
TP53 P04637 1/20 0.62
GRM4 Q14833 1/20 0.61
PGR P06401 1/20 0.60
MAPT P10636 5/20 0.60

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
SCHEMBL6633618 0.84 KMT2A (0.89) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL8626226 0.82 ALDH1A1 (0.78) TDP1ALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL2575722 0.82 SMN1; SMN2 (0.91) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL12167789 0.79 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL12167800 0.79 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL27179735 0.76 MEN1 (0.71) TDP1ALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL12776733 0.76 MEN1 (0.59) ALDH1A1MAPK1ALOX15HSD17B10MEN1
SCHEMBL4069902 0.75 LMNA (0.79) ALDH1A1MAPK1ALOX15MEN1KMT2A
SCHEMBL328331 0.75 AKT1 (1.00) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL31605457 0.75 ALDH1A1 (0.80) TDP1ALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268885-B2 Entry inhibitors of the HIV virus JANSSEN R&D IRELAND (IE) 2012-09-18 US disclosed
US-8268885-B2 Entry inhibitors of the HIV virus JANSSEN R&D IRELAND (IE) 2012-09-18 US disclosed
EP-1667675-B1 ENTRY INHIBITORS OF THE HIV VIRUS TIBOTEC PHARM LTD (IE) 2011-11-09 EP disclosed
US-20070066623-A1 Entry inhibitors of the hiv virus JANSSEN R&D IRELAND (IE) 2007-03-22 US disclosed
US-20070066623-A1 Entry inhibitors of the hiv virus JANSSEN R&D IRELAND (IE) 2007-03-22 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-20070066623-A1 Entry inhibitors of the hiv virus HAVCR2, CCR5, SAMHD1 TDP1 4074/4885ALDH1A1 3208/4885MAPK1 2085/4885

“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.