SCHEMBL646784

SCHEMBL646784

COC(=O)CNc1ccc(Oc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 3/20 0.44
BRD4 O60885 4/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 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
HDAC8 Q9BY41 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 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
SCHEMBL4647219 0.91 HDAC8 (0.47) FFAR1FFAR4BRD4ALDH1A1KDM4E
SCHEMBL3915952 0.83 PPIA (0.47) BRD4CYP19A1ALDH1A1KDM4ECYP1A2
SCHEMBL3915710 0.80 BRD4 (0.43) FFAR4BRD4CYP19A1HDAC8NPC1
SCHEMBL3916606 0.79 KDM4E (0.43) BRD4CYP19A1ALDH1A1KDM4ECYP1A2
SCHEMBL3003359 0.79 HDAC8 (0.48) FFAR1ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL8021068 0.76 ADRA2C (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL629862 0.76 HPGD (0.45) BRD4ALDH1A1KDM4EHDAC8SMN1; SMN2
SCHEMBL31277431 0.76 LRRK2 (0.46) BRD4ALDH1A1KDM4EHDAC8SMN1; SMN2
SCHEMBL629377 0.76 LRRK2 (0.46) BRD4ALDH1A1KDM4EHDAC8SMN1; SMN2
SCHEMBL3916435 0.74 LTA4H (0.39) BRD4CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR FFAR1 631/4885FFAR4 864/4885BRD4 3258/4885

“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.