SCHEMBL1474220

SCHEMBL1474220

CN1CCN(c2nc(-c3cccc(C(=O)O)c3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.58
RAB9A P51151 7/20 0.58
NPC1 O15118 4/20 0.58
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 5/20 0.53
MAPK1 P28482 5/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 4/20 0.53
HSD17B10 Q99714 3/20 0.52
TP53 P04637 3/20 0.51
AR P10275 2/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL1169212 0.86 CHEK1 (0.58) SMN1; SMN2RAB9ANPC1CTSLCTSB
Bromide SCHEMBL1146428 0.85 CHEK1 (0.57) SMN1; SMN2RAB9ANPC1CTSLCTSB
SCHEMBL14183837 0.83 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL25251305 0.81 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL31084664 0.81 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1POLB
SCHEMBL1935260 0.80 FAAH (0.48) SMN1; SMN2RAB9ANPC1CTSLCTSB
Hydrochloric Acid SCHEMBL1146413 0.79 FAAH (0.48) SMN1; SMN2RAB9ANPC1CTSLCTSB
Hydrochloric Acid SCHEMBL29565681 0.79 FAAH (0.48) SMN1; SMN2RAB9ANPC1CTSLCTSB
SCHEMBL1936698 0.78 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1CTSLCTSB
SCHEMBL4715695 0.77 CTSL (0.78) SMN1; SMN2RAB9ANPC1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103992329-B Protease inhibitor 美迪维尔公司 2016-08-17 CN disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
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
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
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
CN-100469780-C Cysteine protease inhibitors MEDIVIR AB (SE) 2009-03-18 CN disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US 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
CN-1918169-A Cysteine protease inhibitors MEDIVIR AB (SE) 2007-02-21 CN disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK SMN1; SMN2 4373/4885RAB9A 1155/4885NPC1 482/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK SMN1; SMN2 4458/4885RAB9A 1120/4885NPC1 438/4885

“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.