SCHEMBL1818801

SCHEMBL1818801

O=C(O)[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
PTGER4 P35408 2/20 0.55
TEAD1 P28347 4/20 0.54
PHGDH O43175 1/20 0.48
RORC P51449 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 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
SCHEMBL2032041 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EPTGER4TEAD1PHGDH
SCHEMBL21618307 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EPTGER4TEAD1PHGDH
SCHEMBL20791371 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EPTGER4TEAD1SMN1; SMN2
SCHEMBL28107119 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EPTGER4TEAD1SMN1; SMN2
SCHEMBL2027416 0.86 KDM4E (0.52) ALDH1A1KDM4EPTGER4SMN1; SMN2HRH3
SCHEMBL1816846 0.86 KDM4E (0.52) ALDH1A1KDM4EPTGER4SMN1; SMN2HRH3
SCHEMBL17320112 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL1009407 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL1817113 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL2027597 0.84 IDO1 (0.53) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 CN 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
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US 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 (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-11266669-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 ALDH1A1 317/4885KDM4E 2027/4885PTGER4 3803/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 ALDH1A1 749/4885KDM4E 2409/4885PTGER4 3575/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 ALDH1A1 323/4885KDM4E 2044/4885PTGER4 3854/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 ALDH1A1 749/4885KDM4E 2409/4885PTGER4 3575/4885

“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.