SCHEMBL1996225

SCHEMBL1996225

COc1ccc(C)cc1S(=O)(=O)n1cc(Cl)c2c3c(ccc21)OCCN(C)C3(C)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.38
CPT1A P50416 4/20 0.37
CPT2 P23786 3/20 0.37
CPT1B Q92523 3/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL1995457 0.84 PKM (0.37) GAATSHRMAPK1ALDH1A1PKM
SCHEMBL1996682 0.82 PKM (0.40) KMT2APKMRORCRAB9A
Trifluoroacetic Acid SCHEMBL1996223 0.78 CPT1A (0.40) HSD17B10KMT2AUSP2GAATSHR
SCHEMBL1999621 0.74 TSHR (0.45) HSD17B10KMT2AUSP2GAATSHR
SCHEMBL1993500 0.70 TSHR (0.42) HSD17B10KMT2AUSP2GAATSHR
SCHEMBL1998909 0.69 HTR6 (0.38) GAATSHRALDH1A1PKM
SCHEMBL1996243 0.68 HTR6 (0.41)
SCHEMBL1997381 0.68 HTR6 (0.40) KMT2APKMMEN1LMNA
SCHEMBL1998092 0.67 HTR6 (0.42) PKM
SCHEMBL1994708 0.67 CPT2 (0.37) HSD17B10KMT2AUSP2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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 (1 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HSD17B10 2193/4885KMT2A 4369/4885USP2 4643/4885

“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.