SCHEMBL3204087

SCHEMBL3204087

O=C(O)C(Cc1ccccc1)n1ccc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.54
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
FPR2 P25090 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAPT P10636 1/20 0.41
AR P10275 1/20 0.41
NR1I2 O75469 1/20 0.41
PKLR P30613 1/20 0.40
POLB P06746 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
SCHEMBL3200336 0.92 SERPINE1 (0.51) SERPINE1HDAC1HDAC8HDAC3HDAC4
SCHEMBL27718130 0.84 FPR2 (0.41) SERPINE1HDAC1HDAC8FPR2SMN1; SMN2
SCHEMBL27718131 0.84 FPR2 (0.41) SERPINE1FPR2SMN1; SMN2MAPT
SCHEMBL4658934 0.84 FPR2 (0.45) SERPINE1FPR2SMN1; SMN2MAPTPOLB
SCHEMBL3206680 0.83 NTSR1 (0.53) SERPINE1FPR2
SCHEMBL3185435 0.79 SERPINE1 (0.52) SERPINE1FPR2NR1I2
SCHEMBL13319075 0.79 BRPF1 (0.43) SMN1; SMN2MAPTARNR1I2POLB
SCHEMBL3202701 0.74 NTSR1 (0.64)
SCHEMBL26537243 0.73 SMN1; SMN2 (0.66) HDAC1HDAC8SMN1; SMN2FFAR4MAPT
SCHEMBL13319074 0.73 NR3C2 (0.41) SMN1; SMN2MAPTARNR1I2

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 10 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
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 SERPINE1 4756/4885HDAC1 1874/4885HDAC8 1642/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 SERPINE1 4756/4885HDAC1 1874/4885HDAC8 1642/4885

“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.