SCHEMBL3019728

SCHEMBL3019728

C[Si](C)(C)c1cc(C(=O)Nc2ccc(C=CC(=O)O)c(F)c2)cc([Si](C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
ITGB3 P05106 10/20 0.43
ITGAV P06756 10/20 0.43
ITGA2B P08514 10/20 0.43
ITGB1 P05556 2/20 0.43
ITGB5 P18084 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3019725 1.00 MIF (0.47) MIFITGB3ITGAVITGA2BITGB1
SCHEMBL20045004 0.90 MIF (0.41) MIFITGB3ITGAVITGA2BITGB1
SCHEMBL3032267 0.88 CA12 (0.40) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL3032266 0.88 CA12 (0.40) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL13014961 0.87 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3023900 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3023901 0.86 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3024513 0.85 P2RX3 (0.40) NPC1RAB9APKMMAOAMAOB
SCHEMBL3024515 0.85 P2RX3 (0.40) NPC1RAB9APKMMAOAMAOB
SCHEMBL3023867 0.82 NPC1 (0.42) NPC1RAB9AMAOAMAOBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US claimed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US claimed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP claimed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP 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-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA MIF 1102/4885ITGB3 916/4885ITGAV 919/4885

“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.