SCHEMBL21593391

SCHEMBL21593391

Cc1cc(B(O)O)cc(OC(F)F)c1C(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ TAS1R2 Q8TE23 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ SIK1 P57059 12/20 0.38
▸ SIK2 Q9H0K1 12/20 0.38
▸ SIK3 Q9Y2K2 12/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ ACVR2A P27037 1/20 0.38

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
SCHEMBL30130915 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2POLBSIK1
SCHEMBL21593402 0.88 SIK1 (0.48) POLBSIK1SIK2SIK3ALDH1A1
SCHEMBL21593393 0.77 PTGS2 (0.34) SIK1SIK2SIK3ALDH1A1MEN1
SCHEMBL21591061 0.77 KCNH2 (0.49) TAS1R3TAS1R1TAS1R2POLBKCNH2
SCHEMBL23162335 0.77 SIK1 (0.42) SIK1SIK2SIK3ALDH1A1BMPR1B
SCHEMBL30130962 0.75 ALDH1A1 (0.39) TAS1R3TAS1R1TAS1R2POLBSIK1
SCHEMBL21593394 0.75 ALDH1A1 (0.39) TAS1R3TAS1R1TAS1R2POLBSIK1
SCHEMBL21593290 0.75 SIK1 (0.42) POLBSIK1SIK2SIK3ALDH1A1
SCHEMBL29954128 0.74 SIK1 (0.37) SIK1SIK2SIK3BMPR1BGAK
SCHEMBL22726559 0.72 SIK1 (0.49) SIK1SIK2SIK3ALDH1A1BMPR1B

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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-12-22 — — US disclosed
WO-2019238424-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2019-12-19 — — 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-20220402911-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1A, TNF, IL6 TAS1R3 1244/4885TAS1R1 1164/4885TAS1R2 1699/4885

“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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