SCHEMBL3195396

SCHEMBL3195396

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
MCL1 Q07820 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
SERPINE1 P05121 1/20 0.47
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G4A P47712 1/20 0.45
ROCK2 O75116 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 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
SCHEMBL3205119 0.92 NR1I2 (0.51) NR1I2POLBLMNASERPINE1EPHX2
SCHEMBL3193674 0.88 SERPINE1 (0.55) NR1I2THRATHRBPOLBSERPINE1
SCHEMBL3185508 0.86 EPHX2 (0.62) NR1I2SERPINE1EPHX2NR1H4KCNQ3
SCHEMBL3195444 0.85 NR1I2 (0.63) NR1I2SERPINE1EPHX2NR1H4KCNQ3
SCHEMBL3198691 0.83 EPHX2 (0.51) NR1I2SERPINE1EPHX2NR1H4KCNQ3
SCHEMBL5422761 0.83 EPHX2 (0.60) NR1I2POLBLMNASERPINE1EPHX2
SCHEMBL3195376 0.82 SERPINE1 (0.52) NR1I2POLBSERPINE1TSHR
SCHEMBL3210134 0.80 EPHX2 (0.55) NR1I2MCL1SERPINE1EPHX2NR1H4
SCHEMBL3204698 0.78 NR1I2 (0.53) NR1I2SERPINE1EPHX2NR1H4
SCHEMBL3183923 0.78 CRHBP (0.47) NR1I2SERPINE1EPHX2NR1H4KCNQ3

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 8 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
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 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 (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 NR1I2 2818/4885MCL1 328/4885THRA 2127/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 NR1I2 2818/4885MCL1 328/4885THRA 2127/4885

“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.