SCHEMBL3210134

SCHEMBL3210134

CC(C)(C)c1ccc(Cn2ccc3cc(NS(=O)(=O)c4cccc(C(=O)O)c4)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
NR1H4 Q96RI1 1/20 0.55
AKR1C3 P42330 1/20 0.52
NR1I2 O75469 2/20 0.51
SERPINE1 P05121 1/20 0.49
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNQ4 P56696 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
BCL2 P10415 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR6 P50406 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3185508 0.90 EPHX2 (0.62) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3195444 0.89 NR1I2 (0.63) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL5422761 0.88 EPHX2 (0.60) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL27739282 0.84 NR1H4 (0.49) EPHX2NR1H4NR1I2KCNQ3KCNQ2
SCHEMBL3183962 0.83 EPHX2 (0.63) EPHX2NR1H4KCNQ3KCNQ2KCNQ4
SCHEMBL3198691 0.81 EPHX2 (0.51) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3195396 0.80 NR1I2 (0.54) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3204698 0.79 NR1I2 (0.53) EPHX2NR1H4NR1I2SERPINE1ALDH1A1
SCHEMBL3205119 0.78 NR1I2 (0.51) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3183923 0.78 CRHBP (0.47) EPHX2NR1H4NR1I2SERPINE1KCNQ3

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
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US claimed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US claimed
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 EPHX2 1420/4885NR1H4 2687/4885AKR1C3 1447/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 EPHX2 1420/4885NR1H4 2687/4885AKR1C3 1447/4885

“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.