SCHEMBL17200786

SCHEMBL17200786

O=C(O)CSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
APEX1 P27695 1/20 0.58
MAOA P21397 1/20 0.57
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
DNMT1 P26358 1/20 0.54
RAD52 P43351 1/20 0.54
SMARCA2 P51531 1/20 0.54
TERT O14746 7/20 0.52
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL3381039 0.79 MAOA (0.65) APEX1MAOAMAPTMEN1ALDH1A1
SCHEMBL8602265 0.79 MAOA (0.69) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL14579485 0.79 MAOA (0.65) APEX1MAOAMAPTMEN1ALDH1A1
SCHEMBL11549167 0.77 MAOA (0.72) APEX1MAOAMAPTMEN1ALDH1A1
SCHEMBL13043690 0.77 MAOA (0.58) APEX1MAOAMAPTMEN1ALDH1A1
SCHEMBL30820096 0.76 MAPT (0.61) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL19102201 0.76 APEX1 (0.56) APEX1MAOAMAPTMEN1ALDH1A1
SCHEMBL5804635 0.76 MEN1 (0.68) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL8700766 0.76 MEN1 (0.64) MAOAMAPTMEN1ALDH1A1KMT2A
SCHEMBL9355283 0.75 MAOA (0.60) APEX1MAOAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 TSHR 3060/4885APEX1 1636/4885MAOA 4225/4885

“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.