SCHEMBL30136006

SCHEMBL30136006

NCCC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ DPP4 P27487 7/20 0.58
▸ DPP7 Q9UHL4 7/20 0.58
▸ KCNH2 Q12809 4/20 0.58
▸ CTSL P07711 1/20 0.58
▸ CTSB P07858 1/20 0.58
▸ CTSK P43235 1/20 0.58
▸ HSD11B1 P28845 1/20 0.55
▸ EPHX1 P07099 1/20 0.54
▸ TGM2 P21980 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ F13A1 P00488 1/20 0.49
▸ TGM1 P22735 1/20 0.49

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
SCHEMBL1870932 0.86 ALDH1A1 (0.67) TSHRALDH1A1GAADPP4DPP7
SCHEMBL7394267 0.84 TSHR (0.62) TSHRALDH1A1GAADPP4DPP7
SCHEMBL30981191 0.83 ITGB3 (0.56) TSHRALDH1A1GAADPP4DPP7
SCHEMBL24692549 0.82 DPP4 (0.58) TSHRALDH1A1GAADPP4DPP7
SCHEMBL5560641 0.82 TSHR (0.66) TSHRALDH1A1GAADPP4DPP7
SCHEMBL30135759 0.82 SIGMAR1 (0.59) TSHRALDH1A1GAADPP4DPP7
SCHEMBL2551898 0.81 DPP4 (0.62) TSHRALDH1A1GAADPP4DPP7
SCHEMBL3948461 0.81 ALDH1A1 (0.85) TSHRALDH1A1GAADPP4DPP7
SCHEMBL381922 0.81 ALDH1A1 (0.85) TSHRALDH1A1GAADPP4DPP7
SCHEMBL3948456 0.81 ALDH1A1 (0.85) TSHRALDH1A1GAADPP4DPP7

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
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 — — US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 — — US disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 — — EP disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — 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 (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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 TSHR 3971/4885ALDH1A1 4008/4885GAA 2658/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 TSHR 3869/4885ALDH1A1 2752/4885GAA 2669/4885

“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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