SCHEMBL6229384

SCHEMBL6229384

NC(=S)NN=C(CBr)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.68
ATM Q13315 1/20 0.59
METTL3 Q86U44 1/20 0.59
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTSB P07858 3/20 0.53
EGFR P00533 1/20 0.50
CTSK P43235 1/20 0.49

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
SCHEMBL2674247 0.86 CTSL (0.69) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL27999578 0.84 CTSL (0.70) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL941203 0.82 CTSL (0.68) CTSLATMMETTL3SMN1; SMN2CTSB
SCHEMBL27596090 0.82 CTSL (0.68) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL2675573 0.82 CTSL (0.73) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL25408895 0.81 CTSL (0.66) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL27950773 0.81 CTSL (1.00) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL27647421 0.81 CTSL (0.71) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL9134153 0.79 CTSL (0.64) CTSLATMMETTL3ALDH1A1LMNA
SCHEMBL8320460 0.79 CTSL (0.69) CTSLATMMETTL3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100484928-C thiadiazoline derivatives KYOWA HAKKO KOGYO KK FUJI PHOT (JP) 2009-05-06 CN disclosed
US-20050113283-A1 Methods of treating conditions associated with an EDG-4 receptor MANIV ENERGY CAPITAL 2005-05-26 US disclosed
CN-1617864-A thiadiazoline derivatives KYOWA HAKKO KOGYO KK (JP) 2005-05-18 CN disclosed
EP-1513522-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR SRI INTERNATIONAL (US) 2005-03-16 EP disclosed
WO-2003062392-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR CERETEK LLC (US) 2003-07-31 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-20050113283-A1 Methods of treating conditions associated with an EDG-4 receptor EDNRA, EDNRB, ESRRG CTSL 1097/4885ATM 4834/4885METTL3 4123/4885

“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.