SCHEMBL3070245

SCHEMBL3070245

Cc1ccc(S(=O)(=O)OCC(CCc2ccccc2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.48
LMNA P02545 1/20 0.46
CA2 P00918 4/20 0.46
CTRB1 P17538 2/20 0.46
CA5A P35218 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CA1 P00915 4/20 0.44
CTSL P07711 2/20 0.44

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
SCHEMBL9476901 0.89 CTRB1 (0.56) P2RX7LMNACA2CTRB1CA1
SCHEMBL7990292 0.89 LMNA (0.48) P2RX7LMNACA2CTRB1CA1
SCHEMBL7990303 0.85 P2RX7 (0.47) P2RX7LMNACA2CTRB1CA5A
SCHEMBL3652008 0.84 P2RX7 (0.51) P2RX7LMNACA2CA5ACA1
SCHEMBL3652010 0.84 P2RX7 (0.51) P2RX7LMNACA2CA5ACA1
SCHEMBL22552853 0.84 P2RX7 (0.51) P2RX7LMNACA2CA5ACA1
SCHEMBL3957822 0.84 P2RX7 (0.54) P2RX7LMNACTSL
SCHEMBL8539453 0.83 P2RX7 (0.48) P2RX7LMNACA2CTRB1CA1
SCHEMBL8539455 0.83 P2RX7 (0.48) P2RX7LMNACA2CTRB1CA1
SCHEMBL14370506 0.83 P2RX7 (0.55) P2RX7CA2CTRB1CA1CTSL

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 P2RX7 1025/4885LMNA 3190/4885CA2 294/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 P2RX7 1025/4885LMNA 3190/4885CA2 294/4885

“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.