SCHEMBL3528512

SCHEMBL3528512

COC(=O)CCCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2nc(C)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM1A O60341 2/20 0.34
CCR2 P41597 2/20 0.34
HIF1A Q16665 2/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
LMNA P02545 1/20 0.32
HSPD1 P10809 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN5 P54829 1/20 0.32
HSPE1 P61604 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL3524774 0.95 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2S1PR1KDM1ACCR2
SCHEMBL3527869 0.88 CCR9 (0.40) ALDH1A1CCR2POLBMAPTLMNA
SCHEMBL3527568 0.83 TRPV1 (0.43) ALDH1A1SMN1; SMN2KDM1ACCR2POLB
SCHEMBL3524894 0.82 ALDH1A1 (0.42) ALDH1A1KDM1ACCR2POLBKDM4E
SCHEMBL3529176 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL3529206 0.79 PPARG (0.42) ALDH1A1CCR2POLBMAPTLMNA
SCHEMBL3522354 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL3525917 0.79 HDAC3 (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL3520224 0.78 TRPV1 (0.45) ALDH1A1SMN1; SMN2KDM1ACCR2POLB
SCHEMBL3521451 0.77 EPHX2 (0.42) ALDH1A1SMN1; SMN2POLBKDM4EMAPT

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 ALDH1A1 1607/4885SMN1; SMN2 2892/4885S1PR1 437/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ALDH1A1 1453/4885SMN1; SMN2 3475/4885S1PR1 345/4885

“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.