SCHEMBL15437489

SCHEMBL15437489

CC[C@@H](C)C1O[C@H](Sc2ccccc2)C(OCc2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.34
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
PDPK1 O15530 1/20 0.32
MTOR P42345 1/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL15437488 0.90 PTPN1 (0.36) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL15437693 0.87 HTT (0.34) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL15437540 0.83 PDPK1 (0.34) PDPK1MTOR
SCHEMBL15437647 0.83 MEN1 (0.35) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL15437485 0.83 MEN1 (0.35) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL15437547 0.83 MEN1 (0.35) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL19682304 0.81 PDPK1 (0.36) TACR1PDPK1MTORBCHEACHE
SCHEMBL15437725 0.81 PDPK1 (0.37) TACR1PTPN1CDC25BPDPK1MTOR
SCHEMBL17170404 0.81 PDPK1 (0.34) TACR1PDPK1MTORBCHE
SCHEMBL15437563 0.79 HTT (0.35) PTPN1CDC25BHTT

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-20140024576-A1 HEPTOSE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2014-01-23 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-20140024576-A1 HEPTOSE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS GALE, G6PD, UGDH TACR1 2913/4885PTPN1 1197/4885CDC25B 1690/4885

“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.