SCHEMBL15437693

SCHEMBL15437693

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
TACR1 P25103 2/20 0.31
TACR2 P21452 1/20 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
SCHEMBL15437647 0.91 MEN1 (0.35) HTTPDPK1MTORPTPN1CDC25B
SCHEMBL15437547 0.91 MEN1 (0.35) HTTPDPK1MTORPTPN1CDC25B
SCHEMBL15437485 0.91 MEN1 (0.35) HTTPDPK1MTORPTPN1CDC25B
SCHEMBL15437489 0.87 TACR1 (0.34) HTTPDPK1MTORPTPN1CDC25B
SCHEMBL15437563 0.87 HTT (0.35) HTTPTPN1CDC25B
SCHEMBL15437488 0.84 PTPN1 (0.36) HTTPDPK1MTORPTPN1CDC25B
SCHEMBL19682304 0.80 PDPK1 (0.36) PDPK1MTORTACR1
SCHEMBL15437602 0.80 SSTR1 (0.41) HTTPDPK1MTORPTPN1
SCHEMBL26361053 0.80 SSTR1 (0.41) HTTPDPK1MTORPTPN1
SCHEMBL26361032 0.80 SSTR1 (0.41) HTTPDPK1MTORPTPN1

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 HTT 4530/4885PDPK1 2540/4885MTOR 1783/4885

“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.