SCHEMBL3635807

SCHEMBL3635807

COC(=O)/C=C/c1ccc(-c2ccccc2)cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
PLAU P00749 2/20 0.44
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
MCL1 Q07820 2/20 0.43
BRD4 O60885 2/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42

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
SCHEMBL3635811 1.00 ALPL (0.47) ALPLPLAUHDAC3HDAC1HDAC8
SCHEMBL3632786 0.86 MAPT (0.47) ALPLHDAC3HDAC1HDAC8HDAC4
SCHEMBL1402901 0.86 MAPT (0.47) ALPLHDAC3HDAC1HDAC8HDAC4
SCHEMBL1403315 0.86 CPT1A (0.53) ALPLHDAC1HDAC8
SCHEMBL1403286 0.85 MAPT (0.48) HDAC3HDAC1HDAC8HDAC4HDAC7
SCHEMBL1403285 0.85 MAPT (0.48) HDAC3HDAC1HDAC8HDAC4HDAC7
SCHEMBL18538459 0.77 HDAC8 (0.61) HDAC3HDAC1HDAC8IP6K1IP6K3
SCHEMBL14340877 0.77 IP6K1 (0.49) HDAC3HDAC1HDAC8IP6K1IP6K3
SCHEMBL18538463 0.77 ALDH1A1 (0.54) HDAC3HDAC1HDAC8IP6K1IP6K3
SCHEMBL1403313 0.76 IDH1 (0.46) HDAC1HDAC8MCL1

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 6 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
EP-2155703-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Inhibox Ltd. (GB) 2010-02-24 EP disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 WO 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 ALPL 1778/4885PLAU 3002/4885HDAC3 709/4885

“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.