SCHEMBL3063473

SCHEMBL3063473

Cc1c(F)c(=O)oc2cc(N)c(F)c(F)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.44
▸ ALDH2 P05091 2/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A2 O94788 1/20 0.33
▸ ALDH1B1 P30837 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ KDM4E B2RXH2 6/20 0.32
▸ HPGD P15428 5/20 0.32
▸ HSD17B10 Q99714 5/20 0.32
▸ GAA P10253 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL21379597 0.82 HSD17B3 (0.46) HSD17B3ALDH2BRD4SMN1; SMN2ALDH1A2
SCHEMBL1147722 0.79 HSD17B3 (0.51) HSD17B3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2454830 0.78 ALDH1A1 (0.50) HSD17B3BRD4SMN1; SMN2MAOBALDH1A1
SCHEMBL25190307 0.77 HSD17B3 (0.42) HSD17B3ALDH2BRD4SMN1; SMN2ALDH1A2
SCHEMBL4058366 0.76 RXFP1 (0.47) HSD17B3BRD4SMN1; SMN2MAOBALDH1A1
SCHEMBL20957619 0.71 HSD17B3 (0.58) HSD17B3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL6081605 0.70 HSD17B3 (0.43) HSD17B3SMN1; SMN2MAOBALDH1A1KDM4E
SCHEMBL5483956 0.68 MAOB (0.56) BRD4MAOBALDH1A1KDM4EMAPT
SCHEMBL59843 0.68 HSD17B3 (0.33) HSD17B3SMN1; SMN2POLBKMT2AMAPK1
SCHEMBL9054643 0.68 HSD17B3 (0.67) HSD17B3SMN1; SMN2MAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0018112-B1 SUBSTRATES AND METHOD FOR DETERMINING PROTEOLYTIC ENZYMES Smith, Robert Eugene (US) 1983-07-20 — — EP claimed
WO-2024042107-A1 COMPOSITION MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
WO-2024042106-A1 COMPOSITION MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
US-20240002688-A1 COMPOSITION MERCK PATENT GMBH (DE) 2024-01-04 — — US disclosed
US-20230320140-A1 DEVICE MERCK PATENT GMBH (DE) 2023-10-05 — — US disclosed
EP-4232518-A2 COMPOSITION Merck Patent GmbH (DE) 2023-08-30 — — EP disclosed
EP-4208904-A1 DEVICE Merck Patent GmbH (DE) 2023-07-12 — — EP disclosed
US-20230107892-A1 NEGATIVE TYPE PHOTOSENSITIVE COMPOSITION COMPRISING REFLECTANCE MODIFIER MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-04-06 — — US disclosed
US-11579527-B2 Negative type photosensitive composition comprising black colorant MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-11579530-B2 Negative type photosensitive composition MERCK PATENT GMBH (DE) 2023-02-14 — — US disclosed
US-7812042-B2 Pharmaceutical compositions and therapeutic applications for the use of a novel vitamin B12 derivative, N-acetyl-L-cysteinylcobalamin KENT STATE UNIVERSITY (US) 2010-10-12 — — US disclosed
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 — — EP disclosed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 — — WO disclosed
US-20080113900-A1 Pharmaceutical compositions and therapeutic applications for the use of a synthetic vitamin B12 derivative, glutathionylcobalamin KENT STATE UNIVERSITY 2008-05-15 — — US disclosed
US-20080076733-A1 Pharmaceutical compositions and therapeutic applications for the use of a novel vitamin B12 derivative, N-acetyl-L-cysteinylcobalamin KENT STATE UNIVERSITY 2008-03-27 — — US disclosed
WO-2003055890-A1 THIENOPYRIMIDINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 — — WO disclosed
WO-2003055489-A1 2,4-DIAMINO-PYRIMIDINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 — — WO disclosed
WO-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 — — WO disclosed
EP-0018112-B1 SUBSTRATES AND METHOD FOR DETERMINING PROTEOLYTIC ENZYMES Smith, Robert Eugene (US) 1983-07-20 — — EP disclosed
EP-0018112-A1 Substrates and method for determining proteolytic enzymes Smith, Robert Eugene (US) 1980-10-29 — — EP 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 (2 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-20080113900-A1 Pharmaceutical compositions and therapeutic applications for the use of a synthetic vitamin B12 derivative, glutathionylcobalamin CBS, CTH, BHMT2 HSD17B3 1828/4885ALDH2 995/4885BRD4 2844/4885
US-20080076733-A1 Pharmaceutical compositions and therapeutic applications for the use of a novel vitamin B12 derivative, N-acetyl-L-cysteinylcobalamin CBS, MMAB, AHCY HSD17B3 3359/4885ALDH2 771/4885BRD4 2373/4885

“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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