SCHEMBL3086722

SCHEMBL3086722

CC(C)(C)C1(O)C(=O)Nc2c1ccc(F)c2F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
MDM2 Q00987 2/20 0.32
AKR1B1 P15121 1/20 0.32
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
HDAC4 P56524 1/20 0.30

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
SCHEMBL3081156 0.85 RIPK1 (0.33) MDM2
SCHEMBL3092349 0.74 CNR1 (0.38) AKR1B1POLBCASP6
SCHEMBL3086899 0.73 ALDH1A1 (0.33) POLBCASP6
SCHEMBL3093593 0.73
SCHEMBL3093599 0.72 POLB (0.30) POLBCASP6
SCHEMBL31003828 0.72 ALDH1A1 (0.34) POLBCASP6
SCHEMBL13145417 0.72
SCHEMBL3078083 0.71 BRD4 (0.34) BRD4
SCHEMBL3080791 0.70 MMP2 (0.35)
SCHEMBL3082783 0.70 MDM2 (0.30) MDM2

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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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 (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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C BRD4 616/4885MDM2 251/4885AKR1B1 1425/4885

“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.