SCHEMBL3860372

SCHEMBL3860372

NC(=O)C1(c2c(F)cccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
OPRL1 P41146 2/20 0.39
BCHE P06276 1/20 0.38
ELOVL1 Q9BW60 1/20 0.36
LMNA P02545 1/20 0.36
KCNN4 O15554 1/20 0.36
SLC9A1 P19634 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALB P02768 1/20 0.35

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
SCHEMBL18742412 0.92 HDAC4 (0.47) HDAC4CES2CES1OPRL1BCHE
SCHEMBL10528639 0.87 HDAC4 (0.59) HDAC4OPRL1LMNA
SCHEMBL9314481 0.81 AKR1C1 (0.45) HDAC4CES2CES1ALB
SCHEMBL4744830 0.80 HDAC4 (0.57) HDAC4OPRL1ELOVL1LMNAHDAC3
SCHEMBL20954810 0.77 TSHR (0.55) OPRL1
SCHEMBL18742673 0.76 HDAC4 (0.62) HDAC4CES2CES1OPRL1BCHE
SCHEMBL23660729 0.75 TSHR (0.47) OPRL1HDAC1HDAC2
SCHEMBL10002458 0.75 HDAC4 (0.60) HDAC4OPRL1ELOVL1LMNA
SCHEMBL43075 0.75 HDAC4 (0.65) HDAC4OPRL1ELOVL1LMNA
SCHEMBL19814324 0.74 MAPT (0.39) HDAC4OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP claimed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO claimed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US claimed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-12-25 US disclosed
US-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2008-12-25 US disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US 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-20080319204-A1 PROCESS FOR THE SYNTHESIS OF PROGESTERONE RECEPTOR MODULATORS OXTR, PGR, NR3C2 HDAC4 1237/4885CES2 1160/4885CES1 2170/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C HDAC4 3395/4885CES2 2736/4885CES1 3625/4885

“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.