SCHEMBL1473079

SCHEMBL1473079

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(C(=O)O)cc3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPK1 P28482 6/20 0.58
HTT P42858 4/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
USP30 Q70CQ3 1/20 0.51
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GBA1 P04062 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3765754 0.90 RAB9A (0.66) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL3767565 0.88 MAPT (0.74) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL29157428 0.88 MAPT (0.74) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL13208949 0.88 MAPT (0.58) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL17541711 0.87 MAPT (0.67) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL4584400 0.85 MAPT (0.56) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL27315644 0.84 LMNA (0.59) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL27669237 0.84 RAB9A (0.59) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL6183439 0.82 ACKR3 (0.45) MAPTLMNASMN1; SMN2MAPK1HTT
SCHEMBL1169212 0.81 CHEK1 (0.58) MAPTLMNASMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701960-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
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
CN-1362947-A N-cyanomethylamides as protease inhibitors AXYS PHARM INC (US) 2002-08-07 CN 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-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO 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 (4 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 2606/4885LMNA 1379/4885SMN1; SMN2 3462/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK MAPT 4471/4885LMNA 1768/4885SMN1; SMN2 4373/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK MAPT 4646/4885LMNA 1845/4885SMN1; SMN2 4458/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 MAPT 2606/4885LMNA 1379/4885SMN1; SMN2 3462/4885

“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.