SCHEMBL3972938

SCHEMBL3972938

NC[C@H]1O[C@H](CN)[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRAT O95237 1/20 0.40
HOGA1 Q86XE5 1/20 0.38
FBP1 P09467 1/20 0.37
IDUA P35475 1/20 0.37
GJA1 P17302 1/20 0.35
GJB2 P29033 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
ADK P55263 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
LGALS9 O00182 1/20 0.33
LGALS8 O00214 1/20 0.33
LGALS1 P09382 1/20 0.33
LGALS3 P17931 1/20 0.33

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
Hydrochloric Acid SCHEMBL3667992 0.97 LRAT (0.39) LRATHOGA1FBP1IDUAGJA1
SCHEMBL30228797 0.97 IDUA (0.40) LRATHOGA1FBP1IDUAGJA1
SCHEMBL12301700 0.89 LGALS1 (0.48) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL13437007 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL22618254 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL6473412 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL13437028 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL278868 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL18805899 0.87 HOGA1 (0.40) LRATHOGA1FBP1IDUAGJA1
SCHEMBL6477822 0.87 LGALS1 (0.52) GJA1GJB2MEN1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
EP-2037951-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY Sirion Therapeutics, Inc. (US) 2009-03-25 EP disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO 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-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 LRAT 55/4885HOGA1 1468/4885FBP1 467/4885

“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.