SCHEMBL20420779

SCHEMBL20420779

O=c1cc(-c2ccc(-c3cccc(Cl)c3)s2)c2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ GABRP O00591 4/20 0.51
▸ GABRD O14764 4/20 0.51
▸ GABRA1 P14867 4/20 0.51
▸ GABRB1 P18505 4/20 0.51
▸ GABRG2 P18507 4/20 0.51
▸ GABRB3 P28472 4/20 0.51
▸ GABRA5 P31644 4/20 0.51
▸ GABRA3 P34903 4/20 0.51
▸ GABRA2 P47869 4/20 0.51
▸ GABRB2 P47870 4/20 0.51
▸ GABRA4 P48169 4/20 0.51
▸ GABRE P78334 4/20 0.51
▸ GABRA6 Q16445 4/20 0.51
▸ GABRG1 Q8N1C3 4/20 0.51
▸ GABRG3 Q99928 4/20 0.51
▸ GABRQ Q9UN88 4/20 0.51
▸ KCNA3 P22001 1/20 0.46
▸ CYP1A1 P04798 2/20 0.43

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
SCHEMBL20420715 0.90 CA12 (0.49) CA12CA9GABRPGABRDGABRA1
SCHEMBL20420803 0.89 CA9 (0.49) CA12CA9GABRPGABRDGABRA1
SCHEMBL20420780 0.83 CA12 (0.52) CA12CA9KCNA3CA1TNKS
SCHEMBL20420799 0.82 CA12 (0.49) CA12CA9NQO1AKR1B1CA1
SCHEMBL20420801 0.81 HPGD (0.51) KCNA3CYP1A1CYP1A2CYP1B1MAOA
SCHEMBL20420760 0.81 CA12 (0.53) CA12CA9KCNA3CYP1A1CYP1A2
SCHEMBL20420769 0.79 GABRP (0.60) CA12CA9GABRPGABRDGABRA1
SCHEMBL20428397 0.79 ALDH1A1 (0.52) CA12CA9CYP1A2NQO1AKR1B1
SCHEMBL20420786 0.79 ALDH1A1 (0.52) CA1MAOAMAOBMAPTTNKS
SCHEMBL20420774 0.78 PTGS2 (0.44) CA12CA9NQO1CA1

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-108349959-B 4-substituted coumarin derivative and preparation method and application thereof 成都赜灵生物医药科技有限公司 2021-11-16 — — CN disclosed
US-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 — — US disclosed
US-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof GUIZHOU BAILING GROUP PHARMACEUTICAL CO., LTD. (CN) 2020-01-28 — — US disclosed
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2018-10-04 — — US disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 — — EP disclosed
EP-3354648-A1 4-SUBSTITUED COUMARIN DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF Guizhou Bailing Group Pharmaceutical Co., Ltd. (CN) 2018-08-01 — — EP disclosed
CN-108349959-A The coumarin derivative and its preparation method and application of 4 substitutions 贵州百灵企业集团制药股份有限公司 2018-07-31 — — CN 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-10544134-B2 4-substituted coumarin derivatives and preparation methods and uses thereof MAP4, TUBA3C, ABCC1 CA12 3561/4885CA9 2723/4885GABRP 3524/4885
US-20180282315-A1 4-SUBSTITUTED COUMARIN DERIVATIVES AND PREPARATION METHODS AND USES THEREOF MAP4, TUBA3C, ABCC1 CA12 3561/4885CA9 2723/4885GABRP 3524/4885

“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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