SCHEMBL18105441

SCHEMBL18105441

CCOC(=O)C(C)(C)Sc1ccc2cncc(-c3ccc(C#N)c4ccccc34)c2c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 0.76
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ SLC22A11 Q9NSA0 1/20 0.48

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
SCHEMBL18105414 0.94 SLC22A12 (0.76) SLC22A12SLC22A6SLC22A11
SCHEMBL18105599 0.91 SLC22A12 (0.78) SLC22A12
SCHEMBL18105440 0.87 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL18105600 0.86 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11
SCHEMBL18105429 0.86 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11
SCHEMBL18105601 0.85 SLC22A12 (0.78) SLC22A12
SCHEMBL18105509 0.84 SLC22A12 (0.77) SLC22A12
SCHEMBL18105596 0.83 SLC22A12 (0.79) SLC22A12
SCHEMBL18105409 0.83 SLC22A12 (0.77) SLC22A12
SCHEMBL18105510 0.83 SLC22A12 (0.77) SLC22A12

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
EP-3275867-B1 PYRIDO-FUSED BICYCLIC COMPOUNDS AS URAT1 INHIBITORS FOR TREATING HYPERURICEMIA SHANGHAI YINGLI PHARM CO LTD (CN) 2020-06-10 — — EP disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 — — US disclosed
US-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2018-03-15 — — US disclosed
EP-3275867-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2018-01-31 — — EP disclosed
WO-2016150255-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海璎黎药业有限公司 2016-09-29 — — 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 (1 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-20180072678-A1 CONDENSED RING DERIVATIVE, AND PREPARATION METHOD, INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF URB2, UGP2, NLRP3 SLC22A12 578/4885SLC22A6 830/4885SLC22A11 539/4885

“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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