SCHEMBL7805261

SCHEMBL7805261

CCOc1cc(C=C2SCCN(C)C2=O)cc(CSc2ccccc2)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.60
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ERBB2 P04626 2/20 0.41
PTP4A3 O75365 1/20 0.40
PPARG P37231 1/20 0.39
IGF1R P08069 1/20 0.38
POLB P06746 4/20 0.38
GAA P10253 4/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
BLM P54132 1/20 0.38
RECQL P46063 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7805259 1.00 EGFR (0.60) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL8933994 0.91 EGFR (0.61) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL8957270 0.91 EGFR (0.61) EGFRMEN1KMT2AERBB2PTP4A3
SCHEMBL9472266 0.78 EGFR (0.67) EGFRMEN1KMT2AIGF1RPOLB
SCHEMBL9472275 0.78 EGFR (0.67) EGFRMEN1KMT2AIGF1RPOLB
SCHEMBL9471772 0.76 EGFR (0.66) EGFRMEN1KMT2AERBB2ALDH1A1
SCHEMBL29429743 0.75 EGFR (1.00) EGFRMEN1KMT2AERBB2IGF1R
SCHEMBL14040838 0.72 EGFR (0.78) EGFRMEN1KMT2AERBB2
SCHEMBL10338648 0.71 EGFR (0.67) EGFRMEN1KMT2AERBB2MAPT
SCHEMBL10338647 0.71 EGFR (0.67) EGFRMEN1KMT2AERBB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010018437-A1 NOVEL COMPOUNDS AND METHODS FOR TREATING MULTIPLE SCLEROSIS PANETTA JILL (US) 2001-08-30 US disclosed
US-5981523-A ADMINISTERING THIOMORPHOLINONE COMPOUND TO THE PATIENT SUFFERING FROM MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1999-11-09 US disclosed
EP-0779282-A1 Thiomorpholinone compounds for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1997-06-18 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-20010018437-A1 NOVEL COMPOUNDS AND METHODS FOR TREATING MULTIPLE SCLEROSIS TXNRD3, TXNRD2, CTH EGFR 4634/4885MEN1 3945/4885KMT2A 1634/4885

“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.