Sugi Predict

Sugi Predict / Compounds / SCHEMBL3524927

SCHEMBL3524927

SCHEMBL3524927

CCOC(=O)[C@H](C)OCC#Cc1cc(Cl)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL3528030 1.00 MAOB (0.36) MAOBCYP3A4CYP2C9SMN1; SMN2MAPT
SCHEMBL3523729 0.89 ABL1 (0.39) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL3521667 0.83 POLB (0.38) CYP2C9SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3524909 0.72 MAPT (0.43) SMN1; SMN2MAPTALDH1A1LMNANPSR1
SCHEMBL3522529 0.70 ABL1 (0.39) CYP3A4SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3527600 0.69 MAPT (0.43) CYP3A4MAPTPTGDR2GAAMEN1
SCHEMBL3528298 0.67 MAPT (0.47) CYP3A4CYP2C9MAPTALDH1A1PTGDR2
SCHEMBL3527495 0.66 MAPT (0.46) CYP3A4CYP2C9MAPTALDH1A1PTGDR2
SCHEMBL28967097 0.66 SMN1; SMN2 (0.56) CYP3A4CYP2C9SMN1; SMN2MAPTALDH1A1
SCHEMBL2218645 0.65 ALDH1A1 (0.40) CYP3A4CYP2C9MAPTALDH1A1PTGDR2

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 MAOB 34/4885CYP3A4 339/4885CYP2C9 420/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG MAOB 363/4885CYP3A4 881/4885CYP2C9 1364/4885

“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.