SCHEMBL8513847

SCHEMBL8513847

C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
CCR8 P51685 1/20 0.39

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
SCHEMBL586613 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2IDO1MEN1KMT2A
SCHEMBL7916957 0.82 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL579380 0.79 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL578877 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9880035 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL578981 0.75 SLC1A3 (0.49) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL578878 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL17203731 0.75 CA2 (0.53) ALDH1A1SMN1; SMN2GAA
SCHEMBL579067 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL579308 0.74 NAMPT (0.41) ALDH1A1IDO1MEN1KMT2APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 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 (1 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 3538/4885SMN1; SMN2 3078/4885IDO1 1247/4885

“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.