SCHEMBL21685409

SCHEMBL21685409

CC(C)CCc1ncnc2c1nc(COS(C)(=O)=O)n2C1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.47
▸ PDE8B O95263 2/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ PIK3CD O00329 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RET P07949 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ BLM P54132 1/20 0.30

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
SCHEMBL28587081 0.86 MAP4K1 (0.47) MAP4K1PDE8BCYP2C19PIK3CDCYP1A2
SCHEMBL21684890 0.85 MAP4K1 (0.38) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL21685168 0.84 MAP4K1 (0.48) MAP4K1PDE8BCYP2C19PIK3CDCYP1A2
SCHEMBL21684411 0.84 MAP4K1 (0.45) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL21685038 0.83 NPC1 (0.41) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL28587083 0.81 MAP4K1 (0.44) MAP4K1PDE8BCYP2C19PIK3CDCYP1A2
SCHEMBL21685209 0.80 MAP4K1 (0.43) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL21685593 0.78 NPC1 (0.42) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL28600867 0.77 MAP4K1 (0.42) MAP4K1PDE8BCYP2C19CYP1A2TSHR
SCHEMBL21685027 0.76 MAP4K1 (0.61) MAP4K1PDE8BCYP2C19CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 — — EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 — — US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 — — US disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 — — EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 — — US disclosed
EP-3833348-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC (US) 2021-06-16 — — EP disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 — — US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 — — 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 (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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885PDE8B 3076/4885CYP2C19 3273/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885PDE8B 3076/4885CYP2C19 3273/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885PDE8B 3076/4885CYP2C19 3273/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885PDE8B 3076/4885CYP2C19 3273/4885

“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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