SCHEMBL1817113

SCHEMBL1817113

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SIGMAR1 Q99720 2/20 0.53
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
S1PR1 P21453 1/20 0.50
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CYP1A2 P05177 1/20 0.49
PTGER4 P35408 2/20 0.48
KDM2B Q8NHM5 1/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1009407 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL17320112 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL28107477 0.99 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL28107109 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL7314623 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL27852999 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL2032041 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL21618307 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL1818801 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL2029008 0.83 MAOA (0.60) ALDH1A1SMN1; SMN2SIGMAR1KDM4EKMT2A

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 74 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-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-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 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 317/4885SMN1; SMN2 3585/4885SIGMAR1 4679/4885
US-12023316-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 ALDH1A1 749/4885SMN1; SMN2 3352/4885SIGMAR1 4687/4885
US-11925655-B2 FAP-activated therapeutic agents, and uses related thereto FAP, FIBP, GOT1 ALDH1A1 323/4885SMN1; SMN2 3600/4885SIGMAR1 4674/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 ALDH1A1 749/4885SMN1; SMN2 3352/4885SIGMAR1 4687/4885

“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.