SCHEMBL745229

SCHEMBL745229

C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.76
KDM3B Q7LBC6 1/20 0.37
POLB P06746 2/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL175156 1.00 SLC22A4 (0.76) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL12039657 1.00 SLC22A4 (0.76) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL9985141 0.86 SLC22A4 (1.00) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL20925250 0.85 SLC22A4 (0.72) SLC22A4KDM3BPOLBALPLALPG
SCHEMBL20925187 0.84 SLC22A4 (0.70) SLC22A4KDM3BPOLBGAAKMT2A
SCHEMBL9604220 0.79 SLC22A4 (0.55) SLC22A4KDM3BPOLBGAAKMT2A
SCHEMBL1867165 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL12800006 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL1867162 0.76 SLC22A4 (0.51) SLC22A4KDM3BPOLBKMT2ATDP1
SCHEMBL9604977 0.75 SLC22A4 (0.51) SLC22A4KDM3BGAAKMT2ATDP1

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 169 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709405-A2 FLUORESCEIN-LABELED NERVE TARGETING PEPTIDE FORMULATIONS AND RELATED METHODS Alume Biosciences, Inc. (US) 2026-03-18 EP disclosed
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery ALUME BIOSCIENCES, INC. (US) 2026-01-27 US disclosed
WO-2024233683-A2 FLUORESCEIN-LABELED NERVE TARGETING PEPTIDE FORMULATIONS AND RELATED METHODS ALUME BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
US-20240207421-A1 NERVE TARGETING PEPTIDES AND METHODS OF USE ALUME BIOSCIENCES INC (US) 2024-06-27 US disclosed
US-20240207422-A1 NERVE TARGETING PEPTIDE CONJUGATES AND METHODS OF USE ALUME BIOSCIENCES INC (US) 2024-06-27 US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-20240091387-A1 METHODS AND SYSTEMS USING PEPTIDES FOR TARGETING AND MAPPING HUMAN NERVES IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY ALUME BIOSCIENCES INC (US) 2024-03-21 US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 US disclosed
US-11802138-B2 Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostic and therapeutic delivery THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-31 US disclosed
WO-2006127987-A2 TREATMENT OF EYE DISORDERS WITH SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
EP-1708689-A2 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS The President and Fellows of Harvard College (US) 2006-10-11 EP disclosed
WO-2006105403-A2 TREATMENT OF EYE DISORDERS WITH SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
WO-2006079021-A2 USE OF SIRTUIN-ACTIVATING COMPOUNDS FOR TREATING FLUSHING AND DRUG INDUCED WEIGHT GAIN SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed
US-20060111435-A1 Contacting cells with sirtuin activator or inhibitor; increasing or decreasing fat accumulation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-25 US disclosed
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2006-04-20 US disclosed
WO-2006007411-A2 METHODS AND COMPOSITIONS FOR MODULATING BAX-MEDIATED APOPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-01-19 WO disclosed
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-08-04 US disclosed
WO-2005065667-A2 COMPOSITIONS FOR TREATING OR PREVENTING OBESITY AND INSULIN RESISTANCE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-07-21 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 (7 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-20060111435-A1 Contacting cells with sirtuin activator or inhibitor; increasing or decreasing fat accumulation FABP4, PLIN1, SIRT1 SLC22A4 3852/4885KDM3B 609/4885POLB 3656/4885
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery NGLY1, VGF, GAP43 SLC22A4 3546/4885KDM3B 4019/4885POLB 3117/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB SLC22A4 158/4885KDM3B 4624/4885POLB 2435/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 SLC22A4 47/4885KDM3B 4151/4885POLB 4729/4885
US-20060084085-A1 Methods and compositions for modulating Bax-mediated apoptosis BAX, BCL2, CASP3 SLC22A4 4142/4885KDM3B 2452/4885POLB 1489/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 SLC22A4 47/4885KDM3B 4151/4885POLB 4729/4885
US-20050171027-A1 Compositions for treating or preventing obesity and insulin resistance disorders FABP4, GPR119, SIRT1 SLC22A4 3792/4885KDM3B 972/4885POLB 3863/4885

“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.