SCHEMBL13449592

SCHEMBL13449592

CCC1O[C@H](O[C@H]2OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)C(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ PTPN1 P18031 8/20 0.48
▸ PTPN2 P17706 3/20 0.48
▸ PTPN11 Q06124 3/20 0.48
▸ GJB2 P29033 2/20 0.47
▸ NT5E P21589 1/20 0.47
▸ CDC25B P30305 6/20 0.44
▸ PTPN6 P29350 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TACR2 P21452 1/20 0.43

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
SCHEMBL18308952 0.91 PTPN1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308945 0.91 PTPN1 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13449594 0.90 PTPN1 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13449618 0.88 SSTR1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308958 0.87 GJB2 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308957 0.86 PTPN1 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308950 0.86 PTPN1 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308954 0.86 GJB2 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308949 0.86 GJB2 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18308955 0.84 NT5E (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5

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 SSTR1 3205/4885SSTR2 3750/4885SSTR4 3464/4885

“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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