SCHEMBL3949682

SCHEMBL3949682

CCOC(=O)C(C)(C(=O)O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP17A1 P05093 3/20 0.42
CYP19A1 P11511 3/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNA5 P22460 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL8330075 0.93 MAPK1 (0.49) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8326726 0.87 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8326729 0.86 ALDH1A1 (0.44) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8326720 0.84 MAPK1 (0.43) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL1225868 0.84 TDP1 (0.56) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL14747879 0.83 PIN1 (0.51) SMN1; SMN2CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL2912931 0.83 PIN1 (0.51) SMN1; SMN2CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL10772486 0.83 LMNA (0.57) TDP1LMNACYP1A2CYP3A4CYP11B1
SCHEMBL1605423 0.82 MAPK1 (0.48) MAPK1SMN1; SMN2TDP1LMNACYP1A2
SCHEMBL9394785 0.81 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1703908-A4 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC (US) 2009-07-08 EP disclosed
US-7365075-B2 Aryl sulfonamide compounds and uses related thereto AMGEN INC. (US) 2008-04-29 US disclosed
EP-1703908-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO Amgen Inc. (US) 2006-09-27 EP disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
WO-2005063247-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-07-14 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 (1 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-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 MAPK1 2029/4885SMN1; SMN2 3200/4885TDP1 3623/4885

“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.