SCHEMBL5022929

SCHEMBL5022929

CCOc1ccc(N(C(=O)c2ccc(C(F)(F)F)cc2F)c2nc3ccccc3s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 6/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CACNA1B Q00975 2/20 0.40
TP53 P04637 2/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 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
SCHEMBL5016943 0.90 KDM4E (0.49) PPARGPPARDPPARALMNAMAPT
SCHEMBL5546403 0.89 LMNA (0.41) PPARGPPARDPPARALMNAMAPT
SCHEMBL5016994 0.83 LMNA (0.49) LMNAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5023100 0.82 SMN1; SMN2 (0.46) LMNAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5023488 0.81 KDM4E (0.52) PPARGPPARDPPARALMNAMAPT
SCHEMBL5023114 0.80 SMN1; SMN2 (0.47) PPARDLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL5016923 0.80 SMN1; SMN2 (0.57) LMNAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5016978 0.76 MAPT (0.52) LMNAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5016973 0.74 KDM4E (0.50) LMNAMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL5016981 0.74 LMNA (0.47) LMNAMAPTSMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 PPARG 77/4885PPARD 66/4885PPARA 61/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 PPARG 72/4885PPARD 82/4885PPARA 148/4885

“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.