SCHEMBL427035

SCHEMBL427035

O=C(N1CCSC1)n1cnc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.42
DPP7 Q9UHL4 8/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMO O15229 2/20 0.38
KCNH2 Q12809 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
GRIN2B Q13224 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL427009 0.75 HRH3 (0.42) KCNH2
SCHEMBL427919 0.70 KMO (0.36) KMOGRIN2B
SCHEMBL427146 0.69 ALOX5AP (0.39) KMOGRIN2B
SCHEMBL427913 0.67 GRM2 (0.34) KMOGRIN2B
SCHEMBL14946885 0.67 KMO (0.43) RAB9AKMOHPGD
SCHEMBL424563 0.66 NPC1 (0.48) NPC1RAB9AKMOGRIN2BHPGD
SCHEMBL427101 0.65 FAAH (0.61) NPC1RAB9AKMOGRIN2B
SCHEMBL424568 0.65 HSP90AA1 (0.54) HPGD
SCHEMBL425994 0.64 FAAH (0.47) NPC1RAB9AGRIN2B
SCHEMBL427369 0.64 FAAH (0.49) KMOGRIN2B

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 7 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-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
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 DPP4 322/4885DPP7 503/4885NPC1 446/4885

“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.