SCHEMBL3033600

SCHEMBL3033600

CC(=Cc1ccc(N)cc1F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
APEX1 P27695 6/20 0.39
MIF P14174 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
SLC9A3 P48764 2/20 0.35
SLC9A1 P19634 1/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3033598 1.00 AKR1C3 (0.42) AKR1C3APEX1MIFCYP3A4CYP2C9
SCHEMBL1920181 0.83 AKR1C3 (0.44) AKR1C3APEX1MAPTPOLBPTGS2
SCHEMBL1920180 0.83 AKR1C3 (0.44) AKR1C3APEX1MAPTPOLBPTGS2
SCHEMBL1920614 0.83 AKR1C3 (0.44) AKR1C3APEX1MAPTPOLBPTGS2
SCHEMBL6952023 0.80 GRIN2D (0.33) MAPTALDH1A1TDP1KDM4EPOLB
SCHEMBL14348353 0.80 APEX1 (0.38) AKR1C3APEX1CYP3A4CYP2C9CYP2C19
SCHEMBL1100701 0.80 TBXAS1 (0.34) APEX1MIFCYP3A4CYP2C9CYP2C19
SCHEMBL1100704 0.80 TBXAS1 (0.34) APEX1MIFCYP3A4CYP2C9CYP2C19
SCHEMBL14348497 0.79 APEX1 (0.35) AKR1C3APEX1PTGS2
SCHEMBL9763394 0.77 AKR1C3 (0.42) AKR1C3APEX1CYP3A4CYP2C9CYP2C19

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-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 AKR1C3 274/4885APEX1 3799/4885MIF 1102/4885

“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.