SCHEMBL4646581

SCHEMBL4646581

C=CCCCCC(C)(C)C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.62
CYP4A11 Q02928 3/20 0.62
PKM P14618 2/20 0.41
THRB P10828 1/20 0.41
ACLY P53396 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
ABCC4 O15439 1/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 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
SCHEMBL2215598 0.98 CYP4F2 (0.65) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL2895961 0.96 CYP4F2 (0.61) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL3251799 0.87 CYP4F2 (0.53) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL6067712 0.86 CYP4F2 (0.45) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL6067681 0.85 CYP4F2 (0.47) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL20613555 0.84 CYP4F2 (0.69) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL20713329 0.84 CYP4F2 (0.69) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL20713255 0.84 CYP4F2 (0.69) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL31108907 0.84 CYP4F2 (0.69) CYP4F2CYP4A11PKMTHRBACLY
SCHEMBL31108848 0.84 CYP4F2 (0.69) CYP4F2CYP4A11PKMTHRBACLY

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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 CYP4F2 2732/4885CYP4A11 2902/4885PKM 2643/4885

“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.