SCHEMBL20590247

SCHEMBL20590247

Nc1cc(Br)sc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ BTK Q06187 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ PPARD Q03181 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ PBK Q96KB5 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ CA12 O43570 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
SCHEMBL20590248 1.00 ALDH1A1 (0.38) ALDH1A1HPGDUSP30CHEK1BTK
SCHEMBL20590287 0.97 ALDH1A1 (0.40) ALDH1A1HPGDUSP30CHEK1KDM4E
SCHEMBL20590285 0.97 ALDH1A1 (0.40) ALDH1A1HPGDUSP30CHEK1KDM4E
SCHEMBL28781411 0.84 CHEK1 (0.46) CHEK1BTKDYRK1A
SCHEMBL5554804 0.84 CHEK1 (0.46) CHEK1BTKDYRK1A
SCHEMBL19274764 0.84 USP30 (0.55) USP30BTKPBKCA1CA2
SCHEMBL19274754 0.84 USP30 (0.55) USP30BTKPBKCA1CA2
SCHEMBL20590235 0.83 USP30 (0.36) ALDH1A1USP30CHEK1BTKGAA
SCHEMBL20590234 0.83 USP30 (0.36) ALDH1A1USP30CHEK1BTKGAA
SCHEMBL20590295 0.82 PPARA (0.38) ALDH1A1HPGDUSP30PPARAKDM4E

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
EP-3418275-B1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR KOREA INST SCI & TECH (KR) 2021-03-17 — — EP disclosed
US-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-15 — — US disclosed
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-02-14 — — US disclosed
EP-3418275-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR Korea Institute of Science and Technology (KR) 2018-12-26 — — EP 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-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor CDK2, CDK2AP2, MAP3K5 ALDH1A1 4111/4885HPGD 4081/4885USP30 1820/4885
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor MAP3K5, MAP3K6, MAP3K9 ALDH1A1 4145/4885HPGD 4155/4885USP30 1565/4885

“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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