SCHEMBL8940894

SCHEMBL8940894

O=CNCS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PSIP1 O75475 1/20 0.50
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR6 P50406 1/20 0.41
HSD11B1 P28845 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9703022 0.82 PSIP1 (0.58) MAPTPSIP1ALDH1A1TP53HSD17B10
SCHEMBL2220955 0.80 ALDH1A1 (0.52) MAPTALDH1A1TP53TDP1KMT2A
SCHEMBL9839095 0.78 ALDH1A1 (0.52) ALDH1A1HTTLMNAATMSMN1; SMN2
SCHEMBL8940953 0.76 ALDH1A1 (0.51) MAPTALDH1A1HTTTDP1KMT2A
SCHEMBL6006902 0.75 ALDH1A1 (0.57) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL64761 0.74 PSIP1 (0.67) MAPTPSIP1ALDH1A1TP53HTT
SCHEMBL492985 0.73 MAPT (0.49) MAPTPSIP1ALDH1A1TP53HTR6
SCHEMBL11211587 0.72 ALDH1A1 (0.60) MAPTPSIP1ALDH1A1LMNAMAPK1
SCHEMBL2616457 0.72 CA2 (0.59) MAPTPSIP1ALDH1A1TP53HTR6
SCHEMBL1785001 0.72 PSIP1 (0.52) MAPTPSIP1ALDH1A1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 US disclosed
US-5565470-A HYPOTENSIVE OR ANTIARRHYTHMIA AGENTS, ALSO FOR TREATMENT OF ANGINA OR GLAUCOMA SANOFI (FR) 1996-10-15 US disclosed
US-5340820-A Useful for treatment of ocular diseases, angina pectoris, hypertension and arrhythmia ELF SANOFI (FR) 1994-08-23 US disclosed
EP-0382628-B1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1994-05-04 EP disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
EP-0242001-B1 PROCESS FOR THE MANUFACTURE OF N-(SULFONYLMETHYL) FORMAMIDES AND SULFONYLMETHYLISOCYANIDES ROUSSEL-UCLAF (FR) 1991-03-06 EP disclosed
EP-0382628-A1 Aminoalkoxylphenyl derivatives, process for their preparation and compositions containing them ELF SANOFI (FR) 1990-08-16 EP disclosed
EP-0382618-A2 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI (FR) 1990-08-16 EP disclosed
US-4922016-A Process for the preparation of N-(sulfonylmethyl) formamide compounds GIST-BROCADES N.V. (NL) 1990-05-01 US disclosed
EP-0242001-A1 Process for the manufacture of n-(sulfonylmethyl) formamides and sulfonylmethylisocyanides ROUSSEL-UCLAF (FR) 1987-10-21 EP 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 MAPT 2243/4885PSIP1 3147/4885ADH1B 684/4885

“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.