SCHEMBL1816989

SCHEMBL1816989

O=C(O)[C@@H]1CCCN1Cc1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ SIGMAR1 Q99720 2/20 0.50
▸ CD274 Q9NZQ7 8/20 0.49
▸ PDCD1 Q15116 4/20 0.49
▸ SPHK1 Q9NYA1 1/20 0.49
▸ SLC18A3 Q16572 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CCR4 P51679 1/20 0.46

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
SCHEMBL2587055 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1CYP2C19
SCHEMBL1819248 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1CYP2C19
SCHEMBL1972076 0.84 CYP1A2 (0.60) CYP1A2CD274PDCD1SPHK1CYP2C19
SCHEMBL1818678 0.84 CYP1A2 (0.52) CYP1A2SIGMAR1CD274PDCD1SPHK1
SCHEMBL3148367 0.84 NPBWR1 (0.53) CYP1A2SIGMAR1CD274PDCD1SPHK1
SCHEMBL1815987 0.84 NPBWR1 (0.53) CYP1A2SIGMAR1CD274PDCD1SPHK1
SCHEMBL1817630 0.84 MAOA (0.60) CYP1A2SIGMAR1CD274PDCD1SPHK1
SCHEMBL2029190 0.84 CD274 (0.54) CYP1A2CD274PDCD1MEN1KMT2A
SCHEMBL2029480 0.84 CYP1A2 (0.52) CYP1A2SIGMAR1CD274PDCD1SPHK1
SCHEMBL2029008 0.84 MAOA (0.60) CYP1A2SIGMAR1CD274PDCD1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2025-04-03 — — US disclosed
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-07-02 — — US disclosed
CN-113967258-B FAP-activated therapeutic agents and related uses 塔夫茨大学信托人 2024-07-02 — — CN disclosed
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2024-03-12 — — US disclosed
EP-4299134-A2 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO Bach Biosciences, LLC (US) 2024-01-03 — — EP disclosed
EP-3154594-B1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2023-07-19 — — EP disclosed
US-11302421-B2 Data storage using peptides THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-04-12 — — US disclosed
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2022-03-24 — — US disclosed
US-11266669-B2 FAP-activated therapeutic agents, and uses related thereto BACH BIOSCIENCES, LLC (US) 2022-03-08 — — US disclosed
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 — — CN disclosed
WO-2009006473-A2 PRO-SOFT POLYPEPTIDE PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2009-01-08 — — WO disclosed
WO-2008128064-A2 TRUNCATED ANALOGS OF PEPTIDE AND POLYPEPTIDE THERAPEUTICS TRUSTEES OF TUFTS COLLEGE (US) 2008-10-23 — — WO disclosed
WO-2008119005-A1 3,4-DEHYDRO-PROLINE-CONTAINING INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 — — WO disclosed
WO-2008118848-A1 N-SUBSTITUTED PEPTIDOMIMETIC INHIBITORS OF DIPEPTIDYLPEPTIDASE IV TRUSTEES OF TUFTS COLLEGE (US) 2008-10-02 — — WO disclosed
WO-2008116053-A2 FAP-ACTIVATED CHEMOTHERAPEUTIC COMPOUNDS, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 — — WO disclosed
WO-2008116054-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-09-25 — — WO disclosed
EP-1948243-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF Aeris Therapeutics, Inc. (US) 2008-07-30 — — EP disclosed
WO-2008022015-A2 RETRO-INVERSO INCRETIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-21 — — WO disclosed
WO-2007055950-A2 POLYCATION-POLYANION COMPLEXES, COMPOSITIONS AND METHODS OF USE THEREOF AERIS THERAPEUTICS, INC. (US) 2007-05-18 — — WO disclosed
US-20070110813-A1 Polycation-polyanion complexes, compositions and methods of use thereof AERIS THERAPEUTICS, INC. (US) 2007-05-17 — — 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 (5 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-11266669-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 1575/4885SIGMAR1 4679/4885CD274 2122/4885
US-20250108031-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CYP1A2 2416/4885SIGMAR1 4687/4885CD274 2533/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 2416/4885SIGMAR1 4687/4885CD274 2533/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 CYP1A2 1625/4885SIGMAR1 4674/4885CD274 2205/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 CYP1A2 2416/4885SIGMAR1 4687/4885CD274 2533/4885

“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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