SCHEMBL3905698

SCHEMBL3905698

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(OC)c(C=CC(=O)NCC(F)(F)F)c2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 6/20 0.38
TNFRSF1A P19438 4/20 0.36
HDAC8 Q9BY41 1/20 0.35
GLA P06280 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3905695 1.00 KDM4E (0.42) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3910577 0.87 PTPN1 (0.43) ALDH1A1MAPTCYP1A2CYP2C19PTPN1
SCHEMBL3910572 0.87 PTPN1 (0.43) ALDH1A1MAPTCYP1A2CYP2C19PTPN1
SCHEMBL3915582 0.85 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2CYP2C19PTPN1
SCHEMBL3915578 0.85 ALDH1A1 (0.40) KDM4EALDH1A1CYP1A2CYP2C19PTPN1
SCHEMBL3906804 0.85 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3906798 0.85 PTPN1 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3908555 0.84 ALDH1A1 (0.53) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3908214 0.78 TNFRSF1A (0.46) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1
SCHEMBL3908211 0.78 TNFRSF1A (0.46) KDM4EALDH1A1MAPTSMN1; SMN2PTPN1

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
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM KDM4E 561/4885ALDH1A1 2158/4885MAPT 3976/4885

“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.