SCHEMBL3228310

SCHEMBL3228310

Cc1cc(S(=O)(=O)CCNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.49
CA1 P00915 12/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NQO2 P16083 1/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL21528029 0.84 CA1 (0.46) CA2CA1CA12CA9ALDH1A1
SCHEMBL21528042 0.83 CA2 (0.45) CA2CA1CA12CA9ALDH1A1
SCHEMBL22015808 0.83 CA2 (0.54) CA2CA1CA12CA9MALT1
SCHEMBL29670329 0.82 CA1 (0.49) CA2CA1CA12CA9ALDH1A1
SCHEMBL1926110 0.82 CA1 (0.52) CA2CA1CA12CA9ALDH1A1
SCHEMBL3184725 0.81 KMT2A (0.52) CA2CA1CA12CA9
SCHEMBL22521201 0.80 CA1 (0.47) CA2CA1CA12CA9ALDH1A1
SCHEMBL22015794 0.79 CA1 (0.52) CA2CA1CA12CA9NQO2
SCHEMBL22015786 0.78 CA1 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL1542090 0.78 L3MBTL1 (0.57) CA2CA1CA12CA9MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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 (3 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 CA2 4665/4885CA1 4540/4885CA12 4403/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 CA2 4716/4885CA1 4673/4885CA12 4711/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 CA2 4789/4885CA1 4809/4885CA12 4875/4885

“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.