SCHEMBL18665819

SCHEMBL18665819

CC(C)(C)OC(=O)/N=C\c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.40
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TBXA2R P21731 6/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ABCB1 P08183 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL18666130 0.82 SIRT1 (0.35) RAD51IRAK4ABCB1GPR119SMN1; SMN2
SCHEMBL18665817 0.81 KMT2A (0.37) RAD51ABCB1MEN1KMT2AGPR119
SCHEMBL17048614 0.76 KDM4E (0.45) MEN1ALDH1A1KMT2AGPR119SMN1; SMN2
SCHEMBL17048612 0.76 KDM4E (0.45) MEN1ALDH1A1KMT2AGPR119SMN1; SMN2
SCHEMBL18665796 0.76 KDM4E (0.45) MEN1ALDH1A1KMT2AGPR119SMN1; SMN2
SCHEMBL122510 0.72 RAD51 (0.53) RAD51PIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL232368 0.70 RAD51 (0.54) RAD51CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL121887 0.70 RAD51 (0.54) RAD51CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL230721 0.69 RAD51 (0.43) RAD51TBXA2RMEN1ALDH1A1KMT2A
SCHEMBL230720 0.69 RAD51 (0.43) RAD51TBXA2RMEN1ALDH1A1KMT2A

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-3350173-B1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INT (DE) 2020-02-12 — — EP disclosed
EP-3599234-A1 STEREOSELECTIVE PROCESS Boehringer Ingelheim International GmbH (DE) 2020-01-29 — — EP disclosed
US-10189776-B2 Stereoselective process BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-29 — — US disclosed
WO-2017046355-A1 STEREOSELECTIVE PROCESS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-23 — — 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-10189776-B2 Stereoselective process CYP4A11, CYP4B1, CYP3A4 RAD51 4127/4885CYP11B1 9/4885CYP11B2 10/4885

“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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