SCHEMBL3075637

SCHEMBL3075637

COc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
PKM P14618 2/20 0.75
TBXA2R P21731 1/20 0.69
MAPK1 P28482 1/20 0.64
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 1/20 0.58
TBXAS1 P24557 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
FABP4 P15090 1/20 0.57

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
SCHEMBL9869950 1.00 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL2677725 0.94 ALDH1A1 (0.74) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL2945763 0.88 ALDH1A1 (0.69) ALDH1A1PKMKMT2AUSP2SMN1; SMN2
SCHEMBL29163141 0.86 ALDH1A1 (0.71) ALDH1A1PKMTBXA2RLMNAMEN1
SCHEMBL29163131 0.84 ALDH1A1 (0.68) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL3074642 0.84 ALDH1A1 (0.67) ALDH1A1PKMTBXA2RMAPK1FABP4
SCHEMBL9871290 0.84 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL600045 0.84 ALDH1A1 (0.75) ALDH1A1PKMTBXA2RMAPK1LMNA
SCHEMBL7392549 0.82 ALDH1A1 (0.84) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL9149721 0.82 ALDH1A1 (0.84) ALDH1A1PKMMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules THE BURNHAM INSTITUTE 2010-10-14 US disclosed
US-7741521-B2 4-phenylsulfanyl-phenylamine derivatives used as BH3 Interacting Domain Death Antagonist (BID), for the treatment of neurodegenerative diseases, liver inflammation, multiple sclerosis, heart disease, ischemic injury and for controlling apoptotic cascade THE BURNHAM INSTITUTE (US) 2010-06-22 US disclosed
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus THE BURNHAM INSTITUTE (US) 2007-08-09 US disclosed
WO-2006004622-A2 INHIBITION OF BID-INDUCED CELL-DEATH USING SMALL ORGANIC MOLECULES THE BURNHAM INSTITUTE (US) 2006-01-12 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 (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-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus BID, BAD, TMBIM6 ALDH1A1 4595/4885PKM 2694/4885TBXA2R 4218/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 ALDH1A1 4719/4885PKM 2034/4885TBXA2R 4044/4885

“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.