SCHEMBL13449596

SCHEMBL13449596

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 3/20 0.41
▸ TNF P01375 3/20 0.40
▸ PTPN1 P18031 4/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR2 P30874 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ SSTR5 P35346 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ TACR2 P21452 1/20 0.37
▸ FGF1 P05230 2/20 0.37
▸ FGF2 P09038 2/20 0.37
▸ VEGFA P15692 2/20 0.37
▸ HPSE Q9Y251 2/20 0.37
▸ CDC25B P30305 1/20 0.37

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
SCHEMBL13449599 0.95 PTPN1 (0.46) SELPPTPN1PTPN2PTPN11SSTR1
SCHEMBL3756791 0.82 SSTR1 (0.46) SELPTNFPTPN1PTPN2PTPN11
SCHEMBL38652098 0.79 PTPN1 (0.49) TNFPTPN1PTPN2PTPN11SSTR1
SCHEMBL12837368 0.78 TLR4 (0.42) TNFFGF1FGF2VEGFAHPSE
SCHEMBL26455294 0.76 SSTR1 (0.43) TNFPTPN1PTPN2PTPN11SSTR1
SCHEMBL13449592 0.76 SSTR1 (0.48) PTPN1PTPN2PTPN11SSTR1SSTR2
SCHEMBL11584750 0.76 NT5E (0.55) SELPPTPN1PTPN2PTPN11SSTR1
SCHEMBL7933032 0.76 NT5E (0.55) SELPPTPN1PTPN2PTPN11SSTR1
SCHEMBL17867736 0.76 TNF (0.44) TNFPTPN1SSTR1SSTR2SSTR4
SCHEMBL11581477 0.76 NT5E (0.55) SELPPTPN1PTPN2PTPN11SSTR1

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 SELP 4354/4885TNF 3603/4885PTPN1 3013/4885

“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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