SCHEMBL18148195

SCHEMBL18148195

COc1c(/C=C/C(=O)NCc2ccco2)c(NS(=O)(=O)c2ccccc2Cl)cc2c1OCO2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 8/20 0.56
HPGD P15428 6/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18148198 1.00 CNKSR1 (0.56) CNKSR1HPGDRAB9AALDH1A1NPC1
SCHEMBL18148040 0.88 CNKSR1 (0.57) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL18148043 0.88 CNKSR1 (0.57) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL18148085 0.86 CNKSR1 (0.53) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL18148089 0.86 CNKSR1 (0.53) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL18163745 0.85 CNKSR1 (0.79) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL20798603 0.73 CNKSR1 (0.54) CNKSR1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL18163743 0.72 CNKSR1 (1.00) CNKSR1ALDH1A1SMN1; SMN2
SCHEMBL18148211 0.71 ALDH1A1 (0.42) CNKSR1HPGDRAB9AALDH1A1KDM4E
SCHEMBL18148067 0.71 POLB (0.44) CNKSR1HPGDALDH1A1KDM4EPOLB

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 5 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
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 CNKSR1 1/4885HPGD 3849/4885RAB9A 2055/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885HPGD 3849/4885RAB9A 2055/4885

“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.