SCHEMBL1474745

SCHEMBL1474745

Cn1ccnc1CCc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RARB P10826 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P2RX3 P56373 1/20 0.42
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL1044399 0.86 NR4A1 (0.46) TBXAS1NR4A1NR4A2ALDH1A1MEN1
SCHEMBL1206400 0.81 CXCR4 (0.48) TBXAS1NR4A1NR4A2ALDH1A1MEN1
SCHEMBL7167511 0.81 PRSS1 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL3401058 0.80 KMT2A (0.53) MEN1KMT2ASMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL16700179 0.78 KMT2A (0.49) MEN1KMT2APOLBMAPT
SCHEMBL16700858 0.78 KMT2A (0.48) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10118944 0.78 MEN1 (0.63) TBXAS1NR4A1NR4A2MEN1KMT2A
Benzoic Acid SCHEMBL2518954 0.77 KMT2A (0.50) ALDH1A1MEN1KMT2APOLBMAPT
Nitric Acid SCHEMBL16700597 0.77 KMT2A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1473418 0.77 TRPM5 (0.50) TBXAS1NR4A1NR4A2MEN1KMT2A

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 11 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-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
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
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 TBXAS1 4261/4885NR4A1 117/4885NR4A2 317/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK TBXAS1 3775/4885NR4A1 92/4885NR4A2 248/4885

“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.