SCHEMBL26673391

SCHEMBL26673391

COC(=O)C(C)CC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ESRRB O95718 1/20 0.40
▸ CES2 O00748 2/20 0.39
▸ CES1 P23141 2/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL30416910 0.90 KMT2A (0.41) SLC6A3KMT2AALDH1A1ESRRBHSD17B10
SCHEMBL26673329 0.81 CES2 (0.43) SLC6A3ALDH1A1CES2CES1L3MBTL1
SCHEMBL639093 0.77 PIM1 (0.45) SLC6A3KMT2AALDH1A1ESRRBL3MBTL1
SCHEMBL6509897 0.76 KMT2A (0.72) KMT2AALDH1A1ESRRBCES1L3MBTL1
SCHEMBL13309538 0.76 TSHR (0.41) SLC6A3KMT2AALDH1A1TSHRHSD17B10
SCHEMBL30416463 0.75 STING1 (0.44) KMT2AL3MBTL1
SCHEMBL19660211 0.74 KMT2A (0.47) KMT2AALDH1A1ESRRBL3MBTL1TSHR
SCHEMBL11262738 0.73 KMT2A (0.50) KMT2AALDH1A1ESRRBL3MBTL1ADRB2
SCHEMBL21280546 0.73 SLC6A3 (0.39) SLC6A3KMT2AALDH1A1CES2CES1
SCHEMBL19660004 0.73 PTPN1 (0.50) KMT2AALDH1A1ESRRBCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326766-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-10-23 — — US disclosed
EP-4526300-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-03-26 — — EP disclosed
US-20240025912-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20240025912-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20240025912-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
WO-2023225041-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-11-23 — — WO disclosed
WO-2023225041-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-11-23 — — 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 (2 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-20240025912-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 SLC6A3 4409/4885KMT2A 3948/4885ALDH1A1 4427/4885
US-20250326766-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 SLC6A3 4600/4885KMT2A 3943/4885ALDH1A1 4269/4885

“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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