SCHEMBL18148029

SCHEMBL18148029

CN1CCN(C(=O)/C=C/c2c(NS(=O)(=O)c3ccc[nH]3)cc3c(c2F)NCN3C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 2/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR183 P32249 2/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
CCR2 P41597 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
SCHEMBL18148034 1.00 CNKSR1 (0.39) CNKSR1PIK3CAMTORPOLBALDH1A1
SCHEMBL18148039 0.89 CNKSR1 (0.48) CNKSR1PIK3CAMTORPOLBALDH1A1
SCHEMBL18148042 0.89 CNKSR1 (0.48) CNKSR1PIK3CAMTORPOLBALDH1A1
SCHEMBL18147963 0.81 PIK3CA (0.40) CNKSR1PIK3CAMTORPOLBALDH1A1
SCHEMBL18147968 0.81 PIK3CA (0.40) CNKSR1PIK3CAMTORPOLBALDH1A1
SCHEMBL18148045 0.76 LMNA (0.37) CNKSR1POLBALDH1A1TDP1L3MBTL1
SCHEMBL18148050 0.72 CNKSR1 (0.51) CNKSR1HPGDMAPTCCR2
SCHEMBL18148048 0.72 CNKSR1 (0.51) CNKSR1HPGDMAPTCCR2
SCHEMBL18148041 0.66 LMNA (0.37) CNKSR1POLBALDH1A1TDP1L3MBTL1
SCHEMBL18148044 0.66 LMNA (0.37) CNKSR1POLBALDH1A1TDP1L3MBTL1

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 CNKSR1 1/4885PIK3CA 281/4885MTOR 193/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 CNKSR1 1/4885PIK3CA 281/4885MTOR 193/4885

“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.