SCHEMBL21239487

SCHEMBL21239487

CC[C@@](C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.64
▸ EPHX1 P07099 2/20 0.57
▸ EPHX2 P34913 2/20 0.57
▸ CYP3A4 P08684 2/20 0.54
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ PDE3A Q14432 1/20 0.51

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
SCHEMBL21239486 1.00 POLB (0.64) POLBEPHX1EPHX2CYP3A4CA2
SCHEMBL29874164 1.00 POLB (0.64) POLBEPHX1EPHX2CYP3A4CA2
SCHEMBL21239463 0.84 FPR2 (0.57) HTTMEN1KMT2ANPC1FPR2
SCHEMBL21239464 0.84 FPR2 (0.57) HTTMEN1KMT2ANPC1FPR2
SCHEMBL21239484 0.84 FPR2 (0.57) HTTMEN1KMT2ANPC1FPR2
SCHEMBL21239562 0.83 MAPT (0.55) POLBHTTMEN1LMNAKMT2A
SCHEMBL21239563 0.83 MAPT (0.55) POLBHTTMEN1LMNAKMT2A
SCHEMBL29873879 0.83 MAPT (0.55) POLBHTTMEN1LMNAKMT2A
SCHEMBL4622507 0.82 CYP3A4 (0.51) POLBEPHX1EPHX2CYP3A4CA2
SCHEMBL21239591 0.82 MEN1 (0.58) EPHX1HTTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843283-B Urea derivatives 第一三共株式会社 2022-08-30 — — CN disclosed
US-20220144765-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-20220144765-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 — — US disclosed
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 — — US disclosed
US-10968169-B2 Urea derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-04-06 — — US disclosed
US-10968169-B2 Urea derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-04-06 — — US disclosed
EP-3524240-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-08-14 — — EP disclosed
CN-109843283-A Urea derivative 第一三共株式会社 2019-06-04 — — 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 (3 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-20210206716-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 POLB 4287/4885EPHX1 2395/4885EPHX2 2834/4885
US-10968169-B2 Urea derivative IDO1, IDO2, UTS2R POLB 4183/4885EPHX1 2644/4885EPHX2 3183/4885
US-20220144765-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 POLB 4287/4885EPHX1 2395/4885EPHX2 2834/4885

“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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