SCHEMBL22777065

SCHEMBL22777065

Cc1ccc(S(=O)(=O)n2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c3cc(Cl)nnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.60
▸ PDK4 Q16654 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ GRM1 Q13255 10/20 0.43
▸ GRM5 P41594 9/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ JAK1 P23458 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41

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
SCHEMBL22777480 0.86 HTR6 (0.60) HTR6PDK4KITSCN9AGRM1
SCHEMBL20111981 0.82 HTR6 (0.61) HTR6PDK4KITSCN9AGRM1
SCHEMBL20111995 0.82 HTR6 (0.57) HTR6PDK4KITSCN9AGRM1
SCHEMBL18080760 0.79 HTR6 (0.64) HTR6PDK4KITSCN9AGRM1
SCHEMBL15555500 0.75 HTR6 (0.49) HTR6PDK4KITGRM1GRM5
SCHEMBL15599329 0.73 HTR6 (0.48) HTR6PDK4KITSCN9AGRM1
SCHEMBL15525366 0.73 KIT (0.49) HTR6PDK4KITGRM1GRM5
SCHEMBL16035864 0.73 KIT (0.46) HTR6PDK4KITGRM1GRM5
SCHEMBL29607952 0.73 KIT (0.49) HTR6PDK4KITGRM1GRM5
SCHEMBL30595922 0.73 KIT (0.49) HTR6PDK4KITSCN9AGRM1

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-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 — — US disclosed
WO-2020251974-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — WO 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-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF SMARCA1, SMARCE1, PBRM1 HTR6 3591/4885PDK4 3698/4885KIT 4274/4885

“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.

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