SCHEMBL20132497

SCHEMBL20132497

CC(C)(C)C1CCCc2ccncc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
FDPS P14324 1/20 0.33
CHRNA7 P36544 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 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
SCHEMBL19840378 0.95 SIGMAR1 (0.55) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021340 0.90 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021338 0.90 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021346 0.90 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021337 0.83 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021336 0.83 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021339 0.83 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4USP2TP53
SCHEMBL5021317 0.83 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4MAPK1MAPT
SCHEMBL5021324 0.83 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4MAPK1MAPT
SCHEMBL5021318 0.83 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4MAPK1MAPT

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-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-20180127426-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-05-10 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 (4 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 SIGMAR1 2803/4885CHRNB2 1935/4885CHRNA4 2618/4885
US-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 SIGMAR1 1414/4885CHRNB2 1776/4885CHRNA4 2463/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 SIGMAR1 1414/4885CHRNB2 1776/4885CHRNA4 2463/4885
US-20180127426-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 SIGMAR1 1414/4885CHRNB2 1776/4885CHRNA4 2463/4885

“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.