SCHEMBL21239461

SCHEMBL21239461

CC[C@@](C)(NC(=O)Nc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 8/20 0.77
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ FPR1 P21462 1/20 0.47
▸ CNR1 P21554 1/20 0.46

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
SCHEMBL21239460 1.00 FPR2 (0.77) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239537 1.00 FPR2 (0.77) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL14948924 0.88 FPR2 (0.69) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL14903124 0.87 FPR2 (1.00) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL16738195 0.87 FPR2 (0.71) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239525 0.85 FPR2 (0.57) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239550 0.85 FPR2 (0.57) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239527 0.85 FPR2 (0.57) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239463 0.85 FPR2 (0.57) FPR2KMT2AMEN1RAB9ANPC1
SCHEMBL21239484 0.85 FPR2 (0.57) FPR2KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 — — US claimed
EP-3524240-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-08-14 — — EP claimed
CN-109843283-A Urea derivative 第一三共株式会社 2019-06-04 — — CN claimed
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 FPR2 1882/4885KMT2A 2283/4885MEN1 4040/4885
US-10968169-B2 Urea derivative IDO1, IDO2, UTS2R FPR2 2003/4885KMT2A 2627/4885MEN1 3957/4885
US-20220144765-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 FPR2 1882/4885KMT2A 2283/4885MEN1 4040/4885

“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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