SCHEMBL20847985

SCHEMBL20847985

CCCCCCCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL26134715 1.00 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL30762947 1.00 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL20848098 0.92 MAPT (0.54) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL30360959 0.92 MAPT (0.54) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL22431780 0.92 MAPT (0.54) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL30762860 0.92 MAPT (0.54) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL20840628 0.90 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL20840627 0.90 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL30056057 0.90 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL20839114 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MAPTRAB9A

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
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN claimed
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP claimed
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN disclosed
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP disclosed
US-11111238-B2 Coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer LEAD DISCOVERY CENTER GMBH (DE) 2021-09-07 — — US disclosed
US-20200291011-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-09-17 — — US disclosed
WO-2019057821-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2019-03-28 — — 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-11111238-B2 Coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer POLRMT, UQCRC2, UQCRC1 CYP3A4 248/4885CYP2C9 473/4885CYP2C19 543/4885
US-20200291011-A1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER POLRMT, UQCRC2, UQCRC1 CYP3A4 248/4885CYP2C9 473/4885CYP2C19 543/4885

“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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