SCHEMBL6185210

SCHEMBL6185210

CC(CCC(=O)O)N(C)C(=O)c1ccc(-c2csc(Nc3cccnc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NPC1 O15118 6/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.53
CLK1 P49759 1/20 0.53
LMNA P02545 2/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GLA P06280 1/20 0.45

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
Hydrochloric Acid SCHEMBL6181604 0.99 MAPT (0.53) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL6182913 0.88 MAPT (0.49) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL1473404 0.79 NPC1 (0.80) MAPTNPC1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6400682 0.77 MAPT (0.59) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL7554938 0.75 MAPT (0.91) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL206209 0.74 RAB9A (0.75) MAPTNPC1MEN1KMT2ARAB9A
Trifluoroacetic Acid SCHEMBL7551166 0.74 MAPT (0.73) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL22560263 0.73 MAPT (1.00) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL7439244 0.72 MAPT (0.49) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL6184205 0.72 MAPT (0.49) MAPTNPC1MEN1KMT2ARAB9A

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPT 2606/4885NPC1 545/4885MEN1 3977/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPT 2606/4885NPC1 545/4885MEN1 3977/4885

“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.