SCHEMBL3591380

SCHEMBL3591380

Cc1ccc(S(=O)(=O)NC(c2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HTT P42858 2/20 0.53
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A2 P43004 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ MMP2 P08253 3/20 0.51
▸ MMP3 P08254 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP7 P09237 1/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPN P05981 2/20 0.48
▸ PLAU P00749 1/20 0.48
▸ ADAMTS4 O75173 1/20 0.48
▸ CA12 O43570 2/20 0.47

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
SCHEMBL8333675 1.00 NPSR1 (0.57) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL7138962 0.88 ALDH1A1 (0.54) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL8567090 0.88 ALDH1A1 (0.54) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL7247686 0.87 NPSR1 (0.53) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL2068561 0.86 ALDH1A1 (0.59) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL607797 0.86 ALDH1A1 (0.59) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL2068549 0.86 ALDH1A1 (0.59) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL2067591 0.86 ALDH1A1 (0.59) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL12313671 0.86 NPSR1 (0.67) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL12265958 0.86 NPSR1 (0.67) NPSR1ALDH1A1HTTSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 — — US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 — — US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 — — EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 — — WO disclosed
US-6350905-B1 CATALYTIC REACTION OF OLEFIN IN THE PRESENCE OF OSMIUM CATALYST FOR AMINOHYDROXYLATION THE SCRIPPS RESEARCH INSTITUTE 2002-02-26 — — 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885ALDH1A1 2743/4885HTT 1829/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885ALDH1A1 2743/4885HTT 1829/4885

“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.

Send feedback