SCHEMBL287681

SCHEMBL287681

Cc1ccc(S(=O)(=O)NNC(=O)C2CCCN(CC(=O)Nc3ccccc3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL660456 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL287258 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL287364 0.75 ALDH1A1 (0.51) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL21169293 0.73 DRD3 (0.61) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL28079639 0.70 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1HPGD
SCHEMBL2707107 0.69 MAPK1 (0.77) ALDH1A1GAATSHRKMT2APOLB
SCHEMBL287131 0.69 ALDH1A1 (0.48) ALDH1A1GAATSHRKMT2AMEN1
SCHEMBL15330891 0.69 ALDH1A1 (0.63) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL11147683 0.68 ALDH1A1 (0.90) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL15330243 0.68 MEN1 (0.52) ALDH1A1TSHRKMT2AMEN1POLB

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
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885GAA 194/4885TSHR 4816/4885

“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.