SCHEMBL7796827

SCHEMBL7796827

C=CCc1cc(C=C2SCCN(C)C2=O)cc(CC=C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTPN1 P18031 5/20 0.35
NAT1 P18440 3/20 0.34
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7796826 1.00 MEN1 (0.40) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL8533657 0.88 GAA (0.39) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL8533654 0.88 GAA (0.39) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL7803519 0.79 MEN1 (0.43) MEN1KMT2APOLBMAPTGAA
SCHEMBL7803520 0.79 MEN1 (0.43) MEN1KMT2APOLBMAPTGAA
SCHEMBL7805141 0.76 PTGS2 (0.53) MEN1KMT2AGAAALDH1A1PTGS2
SCHEMBL7805137 0.76 PTGS2 (0.53) MEN1KMT2AGAAALDH1A1PTGS2
SCHEMBL7805135 0.76 PTGS2 (0.53) MEN1KMT2AGAAALDH1A1PTGS2
SCHEMBL8580786 0.76 KDM4E (0.35) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL8991952 0.76 KDM4E (0.35) MEN1KMT2AHPGDPOLBMAPT

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 MEN1 3945/4885KMT2A 1634/4885HPGD 2797/4885

“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.