SCHEMBL3203223

SCHEMBL3203223

Cc1cc(C(N)=O)cc(C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CXCR2 P25025 2/20 0.34
HSD11B1 P28845 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CXCR1 P25024 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DHODH Q02127 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL6564952 0.87 TPMT (0.39) TSHRCXCR2HSD11B1SMN1; SMN2CXCR1
SCHEMBL1187812 0.83 PPARA (0.46) TSHRCXCR2ALDH1A1LMNAL3MBTL1
SCHEMBL5561363 0.79 FFAR4 (0.37) TSHRCXCR2HSD11B1CXCR1KMT2A
Iodide SCHEMBL20377402 0.78 FFAR4 (0.36) TSHRCXCR2HSD11B1CXCR1KMT2A
SCHEMBL3841263 0.76 HSD11B1 (0.31) CXCR2HSD11B1CXCR1CA1CA2
SCHEMBL4814757 0.76 MEN1 (0.36) CXCR2HSD11B1SMN1; SMN2CXCR1ALDH1A1
SCHEMBL3207214 0.76 EPHX2 (0.34) CXCR2HSD11B1SMN1; SMN2ALDH1A1NPC1
SCHEMBL29499587 0.75 POLB (0.38) CXCR2HSD11B1CXCR1ALDH1A1KMT2A
SCHEMBL6022698 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6022694 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858850-B1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-21 EP disclosed
EP-1858850-B1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-21 EP disclosed
CN-101175725-B Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA NV 2011-02-02 CN disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
CN-101175725-A Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-07 CN disclosed
CN-101175726-A Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-05-07 CN disclosed
EP-1863764-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
EP-1858850-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
WO-2006099060-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
WO-2006098982-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
US-20060211861-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
US-20060211863-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 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 (4 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-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS OPRM1, OPRK1, OPRL1 TSHR 1255/4885HTT 2747/4885APOBEC3A 4053/4885
US-20060211861-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 TSHR 1255/4885HTT 2747/4885APOBEC3A 4053/4885
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS OPRM1, OPRL1, OPRK1 TSHR 890/4885HTT 3787/4885APOBEC3A 3531/4885
US-20060211863-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 TSHR 1255/4885HTT 2747/4885APOBEC3A 4053/4885

“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.