SCHEMBL22984885

SCHEMBL22984885

COc1cc(Cl)c(C2CO2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
PTPN1 P18031 3/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX12 P18054 1/20 0.36
PPARD Q03181 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13850047 0.84 HTR2A (0.41) HTR2APTPN1ACHEMEN1KMT2A
SCHEMBL296732 0.74 HTR2A (0.43) HTR2AKDM4EALDH1A1
SCHEMBL12706044 0.72 GAA (0.43) HTR2AHTR2CHTR2BACHEMEN1
SCHEMBL92052 0.71 GAA (0.52) ACHEMEN1KMT2AMAPTL3MBTL1
SCHEMBL7050638 0.71 TSHR (0.37) HTR2AHTR2CHTR2B
SCHEMBL92053 0.71 KMT2A (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL20855753 0.70 TP53 (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL20855751 0.70 TP53 (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL1437913 0.70 NPC1 (0.43) MAPTTDP1ALDH1A1NPC1RAB9A
SCHEMBL17141378 0.70 TSHR (0.35)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 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 (1 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-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS HTR2A 4760/4885HTR2C 4630/4885HTR2B 4726/4885

“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.