SCHEMBL5019109

SCHEMBL5019109

COC(=O)[C@H](N)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
LNPEP Q9UIQ6 4/20 0.52
ERAP2 Q6P179 2/20 0.52
TSHR P16473 1/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
CTSC P53634 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ANPEP P15144 2/20 0.49
ERAP1 Q9NZ08 2/20 0.49
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL276649 1.00 LTA4H (0.53) LTA4HLNPEPERAP2TSHRMETAP2
SCHEMBL1841055 1.00 LTA4H (0.53) LTA4HLNPEPERAP2TSHRMETAP2
Hydrochloric Acid SCHEMBL4634588 0.98 LTA4H (0.52) LTA4HLNPEPERAP2TSHRMETAP2
Hydrochloric Acid SCHEMBL4634585 0.98 LTA4H (0.52) LTA4HLNPEPERAP2TSHRMETAP2
Hydrochloric Acid SCHEMBL17713350 0.98 LTA4H (0.52) LTA4HLNPEPERAP2TSHRMETAP2
Trifluoroacetic Acid SCHEMBL7023585 0.91 LTA4H (0.47) LTA4HLNPEPERAP2TSHRMETAP2
SCHEMBL1279303 0.90 GRIK1 (0.55) LTA4HKMT2A
SCHEMBL7274943 0.90 GRIK1 (0.55) LTA4HKMT2A
Hydrochloric Acid SCHEMBL5758683 0.89 GRIK1 (0.54) LTA4HKMT2A
SCHEMBL2523775 0.89 LTA4H (0.50) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 US disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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 (4 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 LTA4H 737/4885LNPEP 3227/4885ERAP2 2412/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 LTA4H 3098/4885LNPEP 541/4885ERAP2 874/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB LTA4H 424/4885LNPEP 984/4885ERAP2 346/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 LTA4H 906/4885LNPEP 2858/4885ERAP2 2450/4885

“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.