SCHEMBL1476243

SCHEMBL1476243

Cn1ccnc1C=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FBP1 P09467 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL1476241 1.00 TBXAS1 (0.45) TBXAS1NR4A1NR4A2THRBALDH1A1
SCHEMBL1473176 0.84 SMN1; SMN2 (0.51) ALDH1A1TDP1TP53MAPTSMN1; SMN2
SCHEMBL1473178 0.84 SMN1; SMN2 (0.51) ALDH1A1TDP1TP53MAPTSMN1; SMN2
SCHEMBL2457803 0.80 KDM4E (0.47) ALDH1A1TDP1TP53CYP3A4MAPT
SCHEMBL2457805 0.80 KDM4E (0.47) ALDH1A1TDP1TP53CYP3A4MAPT
SCHEMBL6208861 0.78 NPC1 (0.48) ALDH1A1TDP1TP53MAPTMAPK1
SCHEMBL6208862 0.78 NPC1 (0.48) ALDH1A1TDP1TP53MAPTMAPK1
SCHEMBL15871029 0.76 LPO (0.48) ALDH1A1MAPTALOX15HSD17B10MEN1
SCHEMBL6494367 0.75 MAPT (0.54) THRBALDH1A1MAPTALOX15CASP7
SCHEMBL2615887 0.74 ALDH1A1 (0.68) ALDH1A1FBP1TDP1TP53ALOX15

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 3 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
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 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 (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.