SCHEMBL20291500

SCHEMBL20291500

CC(C)(C)OC(=O)n1c(C(=O)CC#N)cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.59
▸ NR1H3 Q13133 3/20 0.57
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL29781083 0.80 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL7902953 0.80 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL29524946 0.80 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL4760328 0.80 NR1H2 (0.68) NR1H2NR1H3CA12CA9
SCHEMBL4251782 0.79 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL3852059 0.79 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL29725642 0.79 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL18537881 0.78 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL5677101 0.78 NR1H2 (0.59) NR1H2NR1H3CA12CA9
SCHEMBL24894603 0.78 NOD2 (0.62) NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406431-B Indole derivatives, preparation method and medical application thereof 上海昂睿医药技术有限公司 2020-06-26 — — CN disclosed
US-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2018-07-12 — — US disclosed
EP-3339305-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG Zhejiang Hisun Pharmaceutical Co., Ltd (CN) 2018-06-27 — — 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 (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-20180194751-A1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG FGFR1, FGFR2, FGFR4 NR1H2 2721/4885NR1H3 2768/4885CA12 4196/4885

“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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