SCHEMBL427075

SCHEMBL427075

O=C(N1CCS(=O)(=O)C1)n1cnc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
MAP4K4 O95819 2/20 0.38
LIPE Q05469 5/20 0.37
BCHE P06276 4/20 0.37
ACHE P22303 3/20 0.37
GABRA5 P31644 1/20 0.36
SLC6A7 Q99884 1/20 0.35
XPO1 O14980 1/20 0.34
F10 P00742 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL462380 0.88 MAP4K4 (0.38) MAP4K4LIPEBCHEACHESLC6A7
SCHEMBL425860 0.79 ALDH1A1 (0.46) LIPEBCHEACHEGABRA5SLC6A7
SCHEMBL425576 0.79 LIPE (0.56) LIPEBCHEPOLBHPGD
SCHEMBL425673 0.74 POLB (0.51) LIPEBCHEPOLBHPGD
SCHEMBL425835 0.74 AKR1C3 (0.54) POLBHPGD
SCHEMBL427456 0.73 SCN5A (0.51) LIPEBCHEACHEPOLB
SCHEMBL425856 0.67 CNR2 (0.39) LIPEBCHEACHEXPO1POLB
SCHEMBL427298 0.65 TSHR (0.51) HPGD
SCHEMBL427271 0.65 LIPE (0.58) LIPEACHEXPO1
SCHEMBL425711 0.64 AKR1C3 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 BRD4 1155/4885MAP4K4 3117/4885LIPE 61/4885

“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.