SCHEMBL25356115

SCHEMBL25356115

CCOC(=O)COCc1c(Br)cnc(F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32

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
SCHEMBL30453142 1.00 TSHR (0.38) TSHRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL30454209 0.85 HSD17B10 (0.36) TSHRALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL25356919 0.85 HSD17B10 (0.36) TSHRALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL25354537 0.82 — —
SCHEMBL30454331 0.82 — —
SCHEMBL25353387 0.72 CA2 (0.43) TSHRHSD17B10
SCHEMBL11559970 0.69 KDM4E (0.51) TSHRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL15699612 0.65 TSHR (0.39) TSHRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL30280664 0.65 PKM (0.41) TSHRALDH1A1CYP1A2CYP2C19POLB
SCHEMBL16784831 0.63 ALDH1A1 (0.57) TSHRALDH1A1CYP1A2CYP2C19POLB

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-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 — — US disclosed
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 — — 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-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 TSHR 2157/4885ALDH1A1 3831/4885CYP1A2 2936/4885

“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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