SCHEMBL30023951

SCHEMBL30023951

CS(=O)(=O)O.CS(=O)(=O)O.Cn1cc(C[C@@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)c2ccccc21

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A known ✓ P28223 1/20 0.40
▸ ADAM17 P78536 3/20 0.46
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ARG1 P05089 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL18396398 1.00 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
SCHEMBL18396400 1.00 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Sulfuric Acid SCHEMBL30024742 0.98 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Sulfuric Acid SCHEMBL21747174 0.98 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Sulfuric Acid SCHEMBL18395441 0.98 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Sulfuric Acid SCHEMBL18395438 0.98 ADAM17 (0.46) ADAM17MMP9MMP8KDM4EHPGD
SCHEMBL30023820 0.96 MMP9 (0.46) ADAM17MMP9MMP8KDM4EHPGD
SCHEMBL18395376 0.96 MMP9 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Hydrochloric Acid SCHEMBL18395638 0.95 MMP9 (0.46) ADAM17MMP9MMP8KDM4EHPGD
Phosphoric Acid SCHEMBL18396350 0.93 MMP9 (0.44) ADAM17MMP9MMP8KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485705-B2 Salts and prodrugs of 1-methyl-d-tryptophan LUMOS PHARMA, INC. (US) 2022-11-01 — — 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 (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-11485705-B2 Salts and prodrugs of 1-methyl-d-tryptophan IDO1, IDO2, INMT HTR2A 102/4885ADAM17 2252/4885MMP9 375/4885

“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.

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