SCHEMBL13449599

SCHEMBL13449599

CCCCCC(=O)OCC1O[C@H](O[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 11/20 0.46
▸ PTPN2 P17706 5/20 0.46
▸ PTPN11 Q06124 4/20 0.46
▸ NT5E P21589 1/20 0.45
▸ SELP P16109 2/20 0.44
▸ TACR2 P21452 2/20 0.43
▸ CDC25B P30305 6/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ PTPN6 P29350 3/20 0.41

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
SCHEMBL13449596 0.95 SELP (0.41) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL3756791 0.87 SSTR1 (0.46) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL13449592 0.82 SSTR1 (0.48) PTPN1PTPN2PTPN11NT5ETACR2
SCHEMBL7933032 0.81 NT5E (0.55) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL11584750 0.81 NT5E (0.55) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL11581477 0.81 NT5E (0.55) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL13449594 0.81 PTPN1 (0.49) PTPN1PTPN2PTPN11NT5ECDC25B
SCHEMBL8824434 0.79 PTPN1 (0.50) PTPN1PTPN2PTPN11NT5ESELP
SCHEMBL18308945 0.78 PTPN1 (0.47) PTPN1PTPN2PTPN11NT5ETACR2
SCHEMBL18308952 0.78 PTPN1 (0.47) PTPN1PTPN2PTPN11NT5ETACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263649-A1 DETECTION OF MYCOBACTERIA ISIS INNOVATION LIMITED (GB) 2012-10-18 — — 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-20120263649-A1 DETECTION OF MYCOBACTERIA LY96, MICA, CD74 PTPN1 3013/4885PTPN2 2438/4885PTPN11 3704/4885

“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.

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