SCHEMBL3768901

SCHEMBL3768901

C[C@@H](c1ccc(Br)cc1)N(CCC(=NSC(C)(C)C)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
ALOX5 P09917 1/20 0.32
ESRRB O95718 1/20 0.31
ESR1 P03372 1/20 0.31
ESRRA P11474 1/20 0.31
ESRRG P62508 1/20 0.31
MEN1 O00255 2/20 0.30
GPR88 Q9GZN0 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL3655180 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3768894 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3655177 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL1641199 0.84 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AHSP90AA1L3MBTL1
SCHEMBL1641198 0.84 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2AHSP90AA1L3MBTL1
SCHEMBL13010785 0.83 KDM4E (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL1463846 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL1463848 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL3663738 0.78 KDM4E (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL9962949 0.78 ESRRB (0.35) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A

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
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 ALDH1A1 103/4885KDM4E 4083/4885MAPT 2596/4885

“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.