SCHEMBL3074642

SCHEMBL3074642

COc1cccc(S(=O)(=O)NCCCCCC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TBXA2R P21731 1/20 0.67
MAPK1 P28482 1/20 0.62
MEP1B Q16820 1/20 0.58
PKM P14618 2/20 0.58
AKR1C3 P42330 2/20 0.57
FABP4 P15090 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL2678034 0.95 ALDH1A1 (0.62) ALDH1A1TBXA2RMAPK1MEP1BPKM
SCHEMBL3199069 0.90 ATM (0.64) ALDH1A1TBXA2RMAPK1MEP1BAKR1C3
SCHEMBL7756193 0.88 ATM (0.56) ALDH1A1TBXA2RMAPK1MEP1BPKM
SCHEMBL3075637 0.84 ALDH1A1 (0.75) ALDH1A1TBXA2RMAPK1PKMFABP4
SCHEMBL9869950 0.84 ALDH1A1 (0.75) ALDH1A1TBXA2RMAPK1PKMFABP4
SCHEMBL29306675 0.83 MEP1B (0.59) ALDH1A1MAPK1MEP1BPKMAKR1C3
SCHEMBL11106788 0.83 AKR1C3 (0.68) ALDH1A1TBXA2RMEP1BAKR1C3
SCHEMBL1466020 0.83 LMNA (0.63) ALDH1A1MAPK1MEP1BPKMAKR1C3
SCHEMBL7219827 0.83 MEP1B (0.61) ALDH1A1MEP1BPKMAKR1C3L3MBTL1
SCHEMBL13244191 0.82 ALDH1A1 (0.69) ALDH1A1TBXA2RMAPK1FABP4ATM

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
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

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 4595/4885TBXA2R 4218/4885MAPK1 1548/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 ALDH1A1 4719/4885TBXA2R 4044/4885MAPK1 2029/4885

“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.