SCHEMBL20471972

SCHEMBL20471972

C=CCOc1cc(C(F)(F)F)ccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ FLT3 P36888 1/20 0.41
▸ LIG1 P18858 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ CFTR P13569 1/20 0.38
▸ SCN8A Q9UQD0 2/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ PPARD Q03181 1/20 0.37

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
SCHEMBL15126164 0.87 ALDH1A1 (0.57) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL15109965 0.85 CYP3A4 (0.49) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL20471847 0.84 CFTR (0.55) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL20471842 0.81 TSHR (0.48) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL10524290 0.81 FLT3 (0.51) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL11827857 0.80 GAA (0.64) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL25085896 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP2C19
SCHEMBL15109776 0.79 GAA (0.63) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL30994941 0.79 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP2C19
SCHEMBL8164464 0.78 GAA (0.53) GAATSHRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 — — US disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 — — US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 — — 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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 GAA 2855/4885TSHR 3906/4885ALDH1A1 2232/4885

“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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