SCHEMBL18148067

SCHEMBL18148067

COc1c(CCC(=O)NCc2ccco2)c(NS(=O)(=O)c2cccc3[nH]ccc23)cc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.44
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37
CNKSR1 Q969H4 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18148211 0.88 ALDH1A1 (0.42) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148085 0.85 CNKSR1 (0.53) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148089 0.85 CNKSR1 (0.53) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148043 0.74 CNKSR1 (0.57) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148040 0.74 CNKSR1 (0.57) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148195 0.71 CNKSR1 (0.56) POLBKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL18148198 0.71 CNKSR1 (0.56) POLBKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL20798616 0.68 POLB (0.45) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18163745 0.66 CNKSR1 (0.79) POLBKMT2AALDH1A1MAPTHPGD
SCHEMBL18148063 0.64 ALDH1A1 (0.42) POLBKMT2AALDH1A1MAPTHPGD

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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 POLB 4119/4885KMT2A 2356/4885ALDH1A1 4731/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 POLB 4119/4885KMT2A 2356/4885ALDH1A1 4731/4885

“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.