SCHEMBL20315134

SCHEMBL20315134

Cc1cccc(F)c1OBO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 6/20 0.40
HTR1A P08908 5/20 0.40
SCN8A Q9UQD0 2/20 0.36
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN4A P35499 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
KCNK3 O14649 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
SCHEMBL3437802 0.85 ALDH1A1 (0.42) ACHESLC6A4SCN8ACYP2D6ALDH1A1
SCHEMBL28221317 0.83 ALDH1A1 (0.40) ACHESLC6A4SCN8ACYP2D6ALDH1A1
SCHEMBL20315139 0.78 CA2 (0.33) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14768539 0.78 TRPA1 (0.46) SLC6A4SCN8ACYP2D6ALDH1A1KDM4E
SCHEMBL16437068 0.77 KMT2A (0.46) SLC6A2SLC6A4HTR1AALDH1A1KDM4E
SCHEMBL15144694 0.76 HTR1A (0.40) SLC6A2SLC6A4HTR1A
SCHEMBL18017367 0.74 SMN1; SMN2 (0.42) HTR1ASCN8AALDH1A1KDM4EHPGD
SCHEMBL256845 0.74 ACHE (0.50) ACHESLC6A2SLC6A4HTR1ASCN8A
SCHEMBL26210633 0.72 KMT2A (0.35) ACHESLC6A2SLC6A4CYP2D6ALDH1A1
SCHEMBL14181682 0.71 KDM4E (0.61) ACHESLC6A2SLC6A4HTR1AALDH1A1

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-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ACHE 4824/4885SLC6A2 4876/4885SLC6A4 4860/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ACHE 4824/4885SLC6A2 4876/4885SLC6A4 4860/4885

“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.