SCHEMBL2111332

SCHEMBL2111332

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nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 1.00
CPT2 P23786 1/20 1.00
HSPD1 P10809 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL721435 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181757 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2110910 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL27688847 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL108615 1.00 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL23068539 0.98 ACLY (0.95) ACLYCPT2HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL4780983 0.98 ACLY (0.95) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2821490 0.98 ACLY (0.95) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9351956-B1 Pharmaceutical composition comprising an enantiomer of lipoamide and derivatives thereof and method of use GeroNova Research Inc. (US) 2016-05-31 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20040161435-A1 Skin Firming Anti-Aging Cosmetic Mask Compositions GUPTA SHYAM K (US) 2004-08-19 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 (3 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ACLY 201/4885CPT2 114/4885HSPD1 358/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACLY 201/4885CPT2 114/4885HSPD1 358/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 ACLY 201/4885CPT2 114/4885HSPD1 358/4885

“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.