SCHEMBL18045067

SCHEMBL18045067

CC(C)(C)C(=O)ONc1ccc(C(=O)N2CCCC(NC(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.49
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ DPP4 P27487 3/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ DPP7 Q9UHL4 3/20 0.46
▸ HPN P05981 2/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.46
▸ EPHX1 P07099 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ F13A1 P00488 2/20 0.42
▸ TGM1 P22735 2/20 0.42
▸ NPC1L1 Q9UHC9 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ ATXN2 Q99700 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL16653847 0.90 TGM2 (0.60) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL16664895 0.86 TGM2 (0.55) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3313307 0.85 HPN (0.56) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3313305 0.85 HPN (0.56) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL20041225 0.83 TGM2 (0.54) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3316730 0.83 CTSL (0.53) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3316725 0.83 CTSL (0.53) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3489847 0.78 CTSL (0.62) TGM2CTSLCTSBCTSKHSD11B1
SCHEMBL3313427 0.78 USP30 (0.63) CTSLCTSBCTSKHSD11B1DPP4
SCHEMBL21344371 0.78 CTSL (0.54) CTSLCTSBCTSKHSD11B1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-22 — — US disclosed
US-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-08-08 — — US disclosed
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 — — US 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 (3 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-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK4 TGM2 2738/4885CTSL 2400/4885CTSB 891/4885
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases CDK7, CDK3, CDK4 TGM2 2738/4885CTSL 2400/4885CTSB 891/4885
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 TGM2 3308/4885CTSL 1219/4885CTSB 412/4885

“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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