SCHEMBL17440323

SCHEMBL17440323

O=c1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
HSD11B1 P28845 1/20 0.55
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
STS P08842 1/20 0.54
CA12 O43570 8/20 0.54
CA9 Q16790 8/20 0.54
CA1 P00915 3/20 0.54
MAOB P27338 1/20 0.52
CA4 P22748 3/20 0.50
PGR P06401 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MCL1 Q07820 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CA3 P07451 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44

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
SCHEMBL9432106 0.89 GLA (0.68) HSD11B1GLAGAASTSCA12
Hydrogen Sulfide SCHEMBL6878856 0.88 GLA (0.66) HSD11B1GLAGAASTSCA12
SCHEMBL21034061 0.84 CYP2A6 (0.61) CYP2A6GLAGAASTSCA12
SCHEMBL7751957 0.83 MCL1 (0.54) CYP2A6HSD11B1GLAGAASTS
SCHEMBL4056753 0.82 CA1 (0.51) HSD11B1CA9CA1LMNATDP1
Diphenylsulfane SCHEMBL5046254 0.80 MAOB (0.61) HSD11B1GLAGAASTSCA12
SCHEMBL598333 0.78 CA1 (0.50) HSD11B1GAACA9CA1MEN1
SCHEMBL13933202 0.78 CA1 (0.49) HSD11B1CA9CA1MEN1LMNA
SCHEMBL1919685 0.78 CA2 (0.52) CYP2A6HSD11B1CA12CA1CA2
SCHEMBL22475322 0.76 CYP2A6 (0.63) CYP2A6CA12CA9CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
EP-4367111-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-05-15 EP disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
US-20190055280-A1 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-21 US disclosed
EP-3169319-A2 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES Massachusetts Institute Of Technology (US) 2017-05-24 EP disclosed
WO-2016011107-A2 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-21 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-20190055280-A1 TRANSITION METAL-BASED SELECTIVE FUNCTIONALIZATION OF CHALCOGENS IN BIOMOLECULES SCLY, SELENOI, PTMS CYP2A6 2137/4885HSD11B1 2807/4885GLA 3977/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CYP2A6 3348/4885HSD11B1 1123/4885GLA 2560/4885

“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.