SCHEMBL3762452

SCHEMBL3762452

O=S(=O)(Nc1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.74
IL1RN P18510 1/20 0.64
KEAP1 Q14145 1/20 0.64
ERAP1 Q9NZ08 1/20 0.64
CYP3A4 P08684 4/20 0.62
CYP2D6 P10635 2/20 0.61
PSEN1 P49768 1/20 0.61
PSEN2 P49810 1/20 0.61
APH1B Q8WW43 1/20 0.61
NCSTN Q92542 1/20 0.61
APH1A Q96BI3 1/20 0.61
PSENEN Q9NZ42 1/20 0.61
ACLY P53396 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.60
CYP19A1 P11511 1/20 0.58
CES1 P23141 1/20 0.55
CA12 O43570 1/20 0.55

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
SCHEMBL29562342 0.95 PGR (0.72) PGRIL1RNKEAP1ERAP1CYP3A4
SCHEMBL7326451 0.88 PGR (0.64) PGRIL1RNKEAP1ERAP1CYP3A4
SCHEMBL7808166 0.87 MEN1 (0.64) PGRCYP3A4KMT2AMEN1
SCHEMBL3756876 0.85 PGR (1.00) PGRIL1RNKEAP1ERAP1KMT2A
SCHEMBL2444333 0.85 KEAP1 (0.64) PGRIL1RNKEAP1ERAP1KMT2A
SCHEMBL29561272 0.83 PGR (0.67) PGRCYP3A4CYP2D6PSEN1PSEN2
SCHEMBL29561444 0.83 CES1 (0.81) PGRCYP3A4CYP2D6PSEN1PSEN2
SCHEMBL7584032 0.82 CES1 (0.81) PGRIL1RNKEAP1ERAP1KMT2A
SCHEMBL6275068 0.81 CYP3A4 (0.62) PGRCYP3A4CYP2D6PSEN1PSEN2
SCHEMBL96059 0.81 CYP3A4 (0.62) PGRCYP3A4CYP2D6PSEN1PSEN2

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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY PGR 2436/4885IL1RN 394/4885KEAP1 1160/4885

“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.