SCHEMBL4871672

SCHEMBL4871672

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nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ DPP4 P27487 3/20 0.38
▸ POLB P06746 1/20 0.30

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
SCHEMBL4867018 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4869429 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4866730 1.00 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL11007092 0.78 DPP4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL24310396 0.76 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL13593671 0.76 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL13164136 0.76 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL18766055 0.74 MAPT (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31292033 0.69 CYP3A4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL12391755 0.67 MAPT (0.43) CYP3A4TSHRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429587-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2008-09-30 — — US disclosed
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 — — US disclosed
US-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-07-05 — — US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 — — 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-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 CYP3A4 301/4885TSHR 1908/4885TDP1 1204/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 CYP3A4 14/4885TSHR 1289/4885TDP1 3209/4885

“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.

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