SCHEMBL1088366

SCHEMBL1088366

COCCCS(=O)(=O)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
NFKB1 P19838 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
PNMT P11086 1/20 0.31
PIK3CG P48736 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
SCHEMBL5247560 0.78 LMNA (0.42) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL408176 0.75 TSHR (0.46) CYP3A4LMNAGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL440466 0.73 TSHR (0.45) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL9496087 0.73 LMNA (0.50) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL13162564 0.72 GABRA1 (0.52) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL10390914 0.71 LMNA (0.46) CYP3A4LMNAGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL2774879 0.70 GABRA1 (0.50) CYP3A4LMNAGABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL190277 0.68 LMNA (0.36) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL23531526 0.68 TSHR (0.44) CYP3A4LMNAGABRA1TSHRGABRG2
SCHEMBL1308005 0.67 GNAO1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (5 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP3A4 729/4885LMNA 4403/4885GABRA1 2661/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP3A4 729/4885LMNA 4403/4885GABRA1 2661/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 CYP3A4 740/4885LMNA 4426/4885GABRA1 2690/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP3A4 729/4885LMNA 4403/4885GABRA1 2661/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP3A4 729/4885LMNA 4403/4885GABRA1 2661/4885

“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.