SCHEMBL18148045

SCHEMBL18148045

COc1c(/C=C/C(=O)O)c(NS(=O)(=O)c2ccc[nH]2)cc2c1NCN2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CNKSR1 Q969H4 8/20 0.35
AKT1 P31749 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18148049 1.00 LMNA (0.37) LMNASMN1; SMN2KEAP1NFE2L2PLA2G1B
SCHEMBL18148042 0.88 CNKSR1 (0.48) LMNACNKSR1KDM4EALDH1A1HPGD
SCHEMBL18148038 0.83 CNKSR1 (0.51) SMN1; SMN2CNKSR1AKT1ALDH1A1
SCHEMBL18148035 0.83 CNKSR1 (0.51) SMN1; SMN2CNKSR1AKT1ALDH1A1
SCHEMBL18148029 0.76 CNKSR1 (0.39) CNKSR1ALDH1A1HPGDPOLBTDP1
SCHEMBL18148208 0.75 CNKSR1 (0.62) SMN1; SMN2CNKSR1AKT1ALDH1A1
SCHEMBL18148044 0.69 LMNA (0.37) LMNASMN1; SMN2KEAP1NFE2L2CNKSR1
SCHEMBL18148041 0.69 LMNA (0.37) LMNASMN1; SMN2KEAP1NFE2L2CNKSR1
SCHEMBL18148050 0.62 CNKSR1 (0.51) CNKSR1AKT1HPGD
SCHEMBL18148033 0.60 HDAC1 (0.36) LMNASMN1; SMN2CNKSR1ALDH1A1

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-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

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 LMNA 1703/4885SMN1; SMN2 3032/4885KEAP1 1253/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 LMNA 1703/4885SMN1; SMN2 3032/4885KEAP1 1253/4885

“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.