SCHEMBL18262541

SCHEMBL18262541

COc1ccc(C[C@H](NC(=O)O)/C(C#CCCO[Si](C)(C)C(C)(C)C)=N\O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.36
▸ CTBP2 P56545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP1 P03956 3/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CTSL P07711 2/20 0.35
▸ ACACB O00763 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34

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
SCHEMBL18262546 1.00 LDHA (0.36) LDHACTBP2KMT2AMMP1MMP3
SCHEMBL18262544 1.00 LDHA (0.36) LDHACTBP2KMT2AMMP1MMP3
SCHEMBL28562309 0.90 ITGB3 (0.44) MMP1ALDH1A1CTSLITGB3ITGA2B
SCHEMBL18262421 0.89 LDHA (0.39) LDHAKMT2AMMP1MMP3MMP9
SCHEMBL18262422 0.89 LDHA (0.39) LDHAKMT2AMMP1MMP3MMP9
SCHEMBL28562308 0.82 SCN9A (0.35) LDHACTBP2KDM4EALDH1A1ACACB
SCHEMBL28564659 0.81 LDHA (0.34) LDHACTBP2KDM4EALDH1A1ACACB
SCHEMBL28564662 0.81 LDHA (0.34) LDHACTBP2KDM4EALDH1A1ACACB
SCHEMBL28558406 0.79 ITGB3 (0.46) ALDH1A1CTSLITGB3ITGA2B
SCHEMBL20415684 0.79 ITGB3 (0.46) ALDH1A1CTSLITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 — — US disclosed
EP-3303284-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-04-08 — — EP disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 — — US disclosed
EP-3303284-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 — — EP disclosed
WO-2016189877-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 — — 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 (2 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-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, SAAL1, FPR2 LDHA 4466/4885CTBP2 4021/4885KMT2A 4461/4885
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 LDHA 4452/4885CTBP2 4056/4885KMT2A 4398/4885

“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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