SCHEMBL1860841

SCHEMBL1860841

COC(=O)C(CC#Cc1cccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2ccc(OC)c(OC)c2)c1)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
PTGER1 P34995 1/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL1861139 0.92 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DPTGER1
SCHEMBL1855155 0.91 STAT5B (0.37) TP53MAPTALDH1A1GAAKMT2A
SCHEMBL1855996 0.88 STAT5B (0.36) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL1857170 0.87 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPTGER1
SCHEMBL1857571 0.86 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DPTGER1
SCHEMBL1859570 0.83 MMP13 (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL1864812 0.82 PTGER1 (0.37) PTGER1TP53MAPTHCRTR1HCRTR2
SCHEMBL3467263 0.81 PTPN2 (0.39) PTGER1
SCHEMBL1860465 0.81 PTGDR2 (0.38) PTGER1TP53MAPTHCRTR1HCRTR2
SCHEMBL1861012 0.79 TP53 (0.37) TP53MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS PDE4A 3891/4885PDE4B 3699/4885PDE4C 3994/4885

“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.