SCHEMBL4647219

SCHEMBL4647219

COC(=O)CNc1cc(Oc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 3/20 0.47
BRD4 O60885 1/20 0.46
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 1/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
C5AR1 P21730 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL646784 0.91 FFAR1 (0.46) HDAC8FFAR1FFAR4BRD4KDM4E
SCHEMBL27733173 0.80 NPC1 (0.46) HDAC8FFAR1FFAR4BRD4SMPD1
SCHEMBL3003359 0.79 HDAC8 (0.48) HDAC8FFAR1MTNR1AMTNR1BCTSV
SCHEMBL629862 0.76 HPGD (0.45) HDAC8BRD4SMPD1HDAC1HDAC6
SCHEMBL31277431 0.76 LRRK2 (0.46) HDAC8BRD4SMPD1HDAC1HDAC6
SCHEMBL629377 0.76 LRRK2 (0.46) HDAC8BRD4SMPD1HDAC1HDAC6
SCHEMBL4646740 0.76 MEN1 (0.44) FFAR4BRD4MTNR1AMTNR1B
SCHEMBL3915952 0.76 PPIA (0.47) BRD4KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6630458 0.74 RAB9A (0.65) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8021068 0.74 ADRA2C (0.54) MTNR1BKDM4EALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN disclosed
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 HDAC8 3417/4885FFAR1 880/4885FFAR4 1923/4885

“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.