SCHEMBL21132798

SCHEMBL21132798

C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCN(C(=O)c1ccco1)C3

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ BRD3 Q15059 13/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ BRD2 P25440 1/20 0.48

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
SCHEMBL21132587 0.89 PDE4D (0.73) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21132799 0.84 PDE4D (0.70) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21133294 0.83 PDE4D (0.68) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21132579 0.83 PDE4D (0.64) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21132578 0.82 PDE4D (0.64) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL17597465 0.82 PDE4D (1.00) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21132801 0.81 PDE4D (0.62) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL19079829 0.81 PDE4D (0.79) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL21132802 0.81 PDE4D (0.61) PDE4DSMN1; SMN2TP53ALDH1A1TSHR
SCHEMBL19079865 0.80 PDE4D (0.81) PDE4DSMN1; SMN2TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885TP53 4300/4885

“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.

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