SCHEMBL3528134

SCHEMBL3528134

COC(=O)C(C)(C)OCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GLO1 Q04760 1/20 0.37
USP2 O75604 2/20 0.37

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
SCHEMBL3523884 0.95 MAPT (0.48) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL3524492 0.88 ALDH1A1 (0.43) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL3529520 0.88 HDAC3 (0.40) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL3519731 0.85 PTGES2 (0.46) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3520238 0.84 KDM1A (0.37) LMNASMN1; SMN2MEN1KMT2AKDM1A
SCHEMBL3525988 0.83 TSHR (0.49) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL3527411 0.83 KDM1A (0.40) MAPTMAPK1MEN1KMT2AKDM1A
SCHEMBL3529176 0.83 MAPT (0.43) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL3740583 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGLO1PKMMEN1
SCHEMBL3528270 0.80 LMNA (0.55) MAPTALDH1A1LMNATSHRSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP MAPT 214/4885ALDH1A1 1607/4885LMNA 849/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG MAPT 730/4885ALDH1A1 1453/4885LMNA 1980/4885

“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.