SCHEMBL3204698

SCHEMBL3204698

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(ccn3Cc3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.53
SERPINE1 P05121 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
NTSR1 P30989 1/20 0.46
USP30 Q70CQ3 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MMP9 P14780 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
SCHEMBL3193347 0.93 CA2 (0.49) NR1I2SERPINE1ALDH1A1CA2CA1
SCHEMBL3193462 0.92 SERPINE1 (0.53) NR1I2SERPINE1ALDH1A1CA2CA1
SCHEMBL3185435 0.88 SERPINE1 (0.52) NR1I2SERPINE1ALDH1A1CA2CA1
SCHEMBL3328211 0.88 NTSR1 (0.59) NR1I2SERPINE1ALDH1A1MAPTNTSR1
SCHEMBL3193084 0.88 NTSR1 (0.59) NR1I2SERPINE1ALDH1A1MAPTNTSR1
SCHEMBL3185508 0.85 EPHX2 (0.62) NR1I2SERPINE1ALDH1A1MAPTEPHX2
SCHEMBL3195444 0.84 NR1I2 (0.63) NR1I2SERPINE1ALDH1A1EPHX2NR1H4
SCHEMBL3186142 0.83 FPR2 (0.53) EPHX2NR1H4
SCHEMBL27718316 0.83 FPR2 (0.53) EPHX2NR1H4
SCHEMBL5422761 0.81 EPHX2 (0.60) NR1I2SERPINE1ALDH1A1MAPTEPHX2

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
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US claimed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO 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 NR1I2 2818/4885SERPINE1 4756/4885ALDH1A1 337/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 NR1I2 2818/4885SERPINE1 4756/4885ALDH1A1 337/4885

“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.