SCHEMBL6136615

SCHEMBL6136615

Cc1cc(C)[n+]([O-])c(S)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL667047 0.81 TSHR (0.57) TSHRKDM4E
SCHEMBL6419955 0.70 TSHR (0.41) TSHRKDM4E
SCHEMBL2579969 0.65
SCHEMBL2601901 0.60 ALDH1A1 (0.37) TSHRKDM4E
SCHEMBL6550332 0.60 TSHR (0.52) TSHRKDM4E
SCHEMBL898962 0.60 TSHR (0.52) TSHRKDM4E
SCHEMBL8240148 0.60 TSHR (0.52) TSHRKDM4E
SCHEMBL7053758 0.60 ALDH1A1 (0.61) TSHR
SCHEMBL9000380 0.60 ALDH1A1 (0.61) TSHR
Hydrochloric Acid SCHEMBL11613262 0.58 TSHR (0.50) TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435953-A4 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2005-05-04 EP claimed
EP-1435953-A1 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2004-07-14 EP claimed
US-20030055090-A1 Antivesicant compounds and methods of making and using thereof LG DISPLAY CO., LTD. (KR) 2003-03-20 US claimed
WO-2003011292-A1 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2003-02-13 WO claimed
EP-1435953-A4 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2005-05-04 EP disclosed
EP-1435953-A1 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. Army Medical Research and Materiel Command (US) 2004-07-14 EP disclosed
US-6664280-B2 For decontaminating an area exposed to a vesicant agent; for therapy of prophylaxis or inhibiting injuries induced by a vesicant agent, such as bis-2-chloroethylsulfide (HD) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2003-12-16 US disclosed
US-20030055090-A1 Antivesicant compounds and methods of making and using thereof LG DISPLAY CO., LTD. (KR) 2003-03-20 US disclosed
WO-2003011292-A1 ANTIVESICANT COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2003-02-13 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-20030055090-A1 Antivesicant compounds and methods of making and using thereof MGMT, C9, DUS2 TSHR 4170/4885KDM4E 235/4885

“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.