SCHEMBL4664095

SCHEMBL4664095

C[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.42
▸ LGALS1 P09382 1/20 0.42
▸ LGALS3 P17931 1/20 0.42
▸ LGALS7; LGALS7B P47929 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRNA7 P36544 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL15520935 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL14268495 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL7361176 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL16815111 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL5035219 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL4826392 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL14293980 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL19646640 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL12618658 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL17682036 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435816-B2 Synthesis of solanum glycosides GLYCOMED SCIENCES (KY) 2008-10-14 — — US claimed
EP-1421100-B1 CHEMICAL SYNTHESIS OF SOLAMARGINE GLYCOMED SCIENCES LTD (KY) 2008-07-09 — — EP claimed
US-20080039628-A1 Synthesis of Solanum Glycosides GLYCOMED SCIENCES (KY) 2008-02-14 — — US claimed
EP-1618122-A1 SYNTHESIS OF SOLANUM GLYCOSIDES GlycoMed Sciences (UK) Limited, c/o Consolidated Capital Limited (GB) 2006-01-25 — — EP claimed
US-20040259814-A1 Synthesis of solanum glycosides GLYCOMED SCIENCES LIMITED (KY) 2004-12-23 — — US claimed
WO-2004096830-A1 SYNTHESIS OF SOLANUM GLYCOSIDES GLYCOMED SCIENCES (UK) LIMITED (GB) 2004-11-11 — — WO claimed
EP-1421100-A1 CHEMICAL SYNTHESIS OF SOLAMARGINE GlycoMed Sciences Limited (AU) 2004-05-26 — — EP claimed
WO-2003018604-A1 SYNTHESIS OF SOLANUM GLYCOSIDES GLYCOMED SCIENCES LIMITED (AU) 2003-03-06 — — WO claimed
US-20040259814-A1 Synthesis of solanum glycosides GLYCOMED SCIENCES LIMITED (KY) 2004-12-23 — — US disclosed
EP-0030331-B1 C-3-BRANCHED CARDENOLIDE GLYCOSIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1983-06-29 — — EP disclosed
EP-0030331-A1 C-3-branched cardenolide glycosides, their preparation and use BASF Aktiengesellschaft (DE) 1981-06-17 — — EP disclosed
US-4252970-A MULTISTEP PROCESS, ONE STEP IS DESULFONATION OF 6-SULFONYLNEAMINES TO FORM 5,6-DIDEOXY-5-OXONEAMINES THE UPJOHN COMPANY (US) 1981-02-24 — — US disclosed
US-4242332-A 4,5-Methano-bufadienolide-rhamnosides, their preparation, and drugs containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
US-4232148-A ANTIBACTERIAL THE UPJOHN COMPANY (US) 1980-11-04 — — US disclosed
EP-0009232-A1 4,5-Methano-bufadienolide-rhamnosides, process for their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1980-04-02 — — EP disclosed
US-4169197-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4038478-A ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1977-07-26 — — US disclosed
US-3996205-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-12-07 — — US disclosed
US-3984393-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-10-05 — — 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 (2 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-20040259814-A1 Synthesis of solanum glycosides GALE, MGAM, STS LGALS9 412/4885LGALS1 411/4885LGALS3 295/4885
US-20080039628-A1 Synthesis of Solanum Glycosides B3GNT2, ST6GAL1, ST3GAL3 LGALS9 2362/4885LGALS1 2120/4885LGALS3 1626/4885

“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.

Send feedback