SCHEMBL7160045

SCHEMBL7160045

CC(C)OC(=O)c1ccc(C(C/C=C/c2ccccc2)(Cc2ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc2)C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.58
PTPRC P08575 4/20 0.58
PTPN2 P17706 6/20 0.55
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL7160053 1.00 PTPN1 (0.58) PTPN1PTPRCPTPN2NPC1RAB9A
SCHEMBL7160017 0.92 PTPN1 (0.49) PTPN1PTPRCPTPN2CYP4F2CYP4A11
SCHEMBL7166661 0.92 PTPN1 (0.49) PTPN1PTPRCPTPN2CYP4F2CYP4A11
SCHEMBL7169222 0.92 PTPN1 (0.60) PTPN1PTPRCPTPN2NPC1RAB9A
SCHEMBL7165643 0.92 PTPN1 (0.60) PTPN1PTPRCPTPN2NPC1RAB9A
SCHEMBL7161147 0.90 PTPN1 (0.72) PTPN1PTPRCPTPN2
SCHEMBL7161152 0.90 PTPN1 (0.72) PTPN1PTPRCPTPN2
SCHEMBL7166675 0.89 PTPN1 (0.53) PTPN1PTPRCPTPN2NPC1RAB9A
SCHEMBL7163909 0.87 PTPN1 (0.75) PTPN1PTPRCPTPN2
SCHEMBL7165640 0.86 PTPN1 (0.57) PTPN1PTPRCPTPN2MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 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 (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-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B PTPN1 17/4885PTPRC 2/4885PTPN2 31/4885

“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.