SCHEMBL4171479

SCHEMBL4171479

CC(C)(C)c1csc(-c2ccc(CN)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LTA4H P09960 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SREBF2 Q12772 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
CCR4 P51679 4/20 0.37
ALDH1A1 P00352 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL12655258 0.85 NPC1 (0.55) CNR1CNR2NPC1RAB9APOLB
SCHEMBL4171478 0.83 CNR1 (0.43) CNR1CNR2NPC1RAB9APOLB
SCHEMBL8215623 0.82 RAB9A (0.54) CNR1CNR2NPC1RAB9ALTA4H
SCHEMBL12622638 0.81 KIF11 (0.47) CNR1CNR2NPC1RAB9APOLB
SCHEMBL13718815 0.81 CNR1 (0.39) CNR1CNR2NPC1RAB9APOLB
SCHEMBL21620287 0.79 CNR1 (0.42) CNR1CNR2NPC1RAB9APOLB
SCHEMBL17124797 0.79 GFER (0.53) CNR1CNR2NPC1RAB9AGAA
SCHEMBL21652162 0.79 KDM4E (0.51) CNR1CNR2NPC1RAB9APOLB
SCHEMBL21652327 0.79 SMN1; SMN2 (0.51) CNR1CNR2NPC1RAB9AGAA
SCHEMBL15125676 0.79 KMT2A (0.38) CNR1CNR2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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 (3 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT LOXL2 4011/4885HRH3 1455/4885CNR1 2124/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 LOXL2 2706/4885HRH3 1335/4885CNR1 1718/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 LOXL2 4128/4885HRH3 1659/4885CNR1 1857/4885

“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.