SCHEMBL3554918

SCHEMBL3554918

Cc1cc(S(C)(=O)=O)ccc1OBOc1ccc(S(C)(=O)=O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
PTGS2 P35354 2/20 0.43
LMNA P02545 4/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
IDE P14735 1/20 0.37
ENPP2 Q13822 1/20 0.36

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
SCHEMBL7412893 0.81 SMN1; SMN2 (0.67) SMN1; SMN2PTGS2LMNATSHRMAPK1
SCHEMBL15056820 0.81 MAPT (0.47) SMN1; SMN2LMNATSHRTDP1ALDH1A1
SCHEMBL1848219 0.80 PTGS2 (0.48) SMN1; SMN2PTGS2
SCHEMBL11697683 0.76 SMN1; SMN2 (0.44) SMN1; SMN2PTGS2LMNAALDH1A1PTGDR2
SCHEMBL1460007 0.76 KIF11 (0.45) SMN1; SMN2PTGS2PTGDR2
SCHEMBL7417985 0.75 SMN1; SMN2 (0.46) SMN1; SMN2PTGS2LMNAALDH1A1MAPT
SCHEMBL13924687 0.74 KMT2A (0.47) SMN1; SMN2PTGS2LMNAMAPK1TDP1
SCHEMBL758951 0.73 LMNA (0.64) SMN1; SMN2PTGS2LMNATSHRTDP1
SCHEMBL24630349 0.71 PTGS2 (0.54) SMN1; SMN2PTGS2LMNAALDH1A1MAPT
SCHEMBL2070649 0.71 ACHE (0.44) SMN1; SMN2TSHRMAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US 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 (2 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A SMN1; SMN2 3122/4885PTGS2 981/4885LMNA 3911/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SMN1; SMN2 3065/4885PTGS2 997/4885LMNA 3803/4885

“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.