SCHEMBL3198691

SCHEMBL3198691

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(ccn3Cc3ccc(C(=O)NCCC(=O)O)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
NR1I2 O75469 1/20 0.50
GCGR P47871 6/20 0.47
SERPINE1 P05121 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
KCNQ4 P56696 2/20 0.45
KCNQ5 Q9NR82 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43

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
SCHEMBL3198713 0.89 SERPINE1 (0.52) EPHX2NR1I2SERPINE1HDAC3HDAC11
SCHEMBL3185508 0.89 EPHX2 (0.62) EPHX2NR1H4NR1I2SERPINE1HDAC3
SCHEMBL3205245 0.87 GCGR (0.52) GCGRSERPINE1ADCY6ADCY3ADCY9
SCHEMBL28771623 0.85 EPHX2 (0.47) EPHX2NR1H4NR1I2GCGRHDAC3
SCHEMBL5422761 0.85 EPHX2 (0.60) EPHX2NR1H4NR1I2SERPINE1HDAC3
SCHEMBL3195444 0.84 NR1I2 (0.63) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3195396 0.83 NR1I2 (0.54) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3204698 0.81 NR1I2 (0.53) EPHX2NR1H4NR1I2SERPINE1ALDH1A1
SCHEMBL3210134 0.81 EPHX2 (0.55) EPHX2NR1H4NR1I2SERPINE1KCNQ3
SCHEMBL3183923 0.80 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 6 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-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 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 2687/4885NR1I2 2818/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 EPHX2 1420/4885NR1H4 2687/4885NR1I2 2818/4885

“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.