SCHEMBL21764599

SCHEMBL21764599

CC(C)(C)c1cc(CC(C)(C)c2ccccc2F)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.37
DUSP3 P51452 3/20 0.37
KIF11 P52732 3/20 0.35
SLC22A12 Q96S37 2/20 0.33
AR P10275 1/20 0.33
PYCR1 P32322 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
P2RX7 Q99572 2/20 0.32
GAA P10253 2/20 0.32
F2R P25116 1/20 0.32
POLB P06746 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL19841847 0.82 F2R (0.31) KIF11P2RX7F2R
SCHEMBL26420508 0.79 ALDH1A1 (0.44) KIF11GAAPOLB
SCHEMBL22761783 0.77 HTR2A (0.39) PTPN7DUSP3POLB
SCHEMBL24065732 0.76 HSD11B1 (0.36) SLC22A12TRPV1NR3C1
SCHEMBL24065730 0.76 PDE2A (0.32)
SCHEMBL25733977 0.75 GAA (0.34) PYCR1GAAPOLB
SCHEMBL21677385 0.75 GABRA1 (0.35) KIF11NR3C1
SCHEMBL24610558 0.74 PYCR1 (0.36) SLC22A12ARPYCR1NR3C1
SCHEMBL19185444 0.72 KIF11 (0.34) PTPN7DUSP3KIF11NR3C1
SCHEMBL22649210 0.71 PLA2G1B (0.33) NR3C1

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-10723738-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-07-28 US disclosed
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2020-02-27 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-10723738-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS PTPN7 962/4885DUSP3 564/4885KIF11 1894/4885
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS PTPN7 962/4885DUSP3 564/4885KIF11 1894/4885

“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.