SCHEMBL14358623

SCHEMBL14358623

O=S(=O)(O)c1cc(NS(=O)(=O)C2CC2)ccc1CCc1ccc(NS(=O)(=O)C2CC2)cc1S(=O)(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ BRPF1 P55201 2/20 0.41
▸ HDAC4 P56524 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ BRD4 O60885 4/20 0.37
▸ SGK1 O00141 1/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ CTPS1 P17812 1/20 0.35
▸ KIT P10721 1/20 0.34

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
SCHEMBL14358617 0.83 RAD51 (0.47) EPHX2NR1H4BRPF1HDAC4OPRM1
SCHEMBL14358811 0.79 EPHX2 (0.43) EPHX2NR1H4
SCHEMBL15105722 0.78 ENPP2 (0.51) EPHX2NR1H4BRPF1HDAC4OPRM1
SCHEMBL14361624 0.78 ENPP2 (0.51) EPHX2NR1H4BRPF1HDAC4OPRM1
SCHEMBL14361580 0.75 HPGD (0.48) —
SCHEMBL14358859 0.75 EPHX2 (0.46) EPHX2NR1H4BRPF1BRD4EGFR
SCHEMBL9079841 0.73 EGFR (0.41) EGFR
SCHEMBL14358903 0.73 ENPP2 (0.46) EPHX2NR1H4BRPF1HDAC4OPRM1
SCHEMBL14358499 0.73 ENPP2 (0.49) EPHX2NR1H4BRPF1HDAC4OPRM1
SCHEMBL14358905 0.73 ENPP2 (0.46) EPHX2NR1H4BRPF1HDAC4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 — — EP claimed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 — — US claimed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 — — WO claimed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 — — US disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 — — EP disclosed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 — — EP disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 — — US disclosed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 — — 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-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE BAK1, SSB, MRE11 EPHX2 1035/4885NR1H4 3462/4885BRPF1 1428/4885
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease BAK1, SSB, MRE11 EPHX2 1035/4885NR1H4 3462/4885BRPF1 1428/4885

“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.

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