SCHEMBL4652076

SCHEMBL4652076

CC(O)(C(=O)O)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.49
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36

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
SCHEMBL1051113 0.83 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL6790618 0.82 TBXAS1 (0.50) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL7279572 0.80 TBXAS1 (0.49) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
Bicarbonate SCHEMBL29201334 0.79 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL6550536 0.78 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
Acetic Acid SCHEMBL8525552 0.78 TBXAS1 (0.50) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL2523006 0.76
SCHEMBL6692416 0.76
SCHEMBL27909057 0.76 TBXAS1 (0.49) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL12928729 0.75 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2ALDH1A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024122393-A1 COMPOSITION FOR IMPROVED STRAIGHTENING OF KERATIN FIBERS L'OREAL (FR) 2024-06-13 WO disclosed
WO-2024006841-A2 COMPOSITIONS FOR WEIGHT LOSS AND CANCER TREATMENT KNOWLEDGE PHARMACEUTICALS INC. (US) 2024-01-04 WO disclosed
US-20220296584-A1 Membrane Active Molecules KNOWLEDGE PHARMACEUTICALS INC. 2022-09-22 US disclosed
EP-3973997-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2022-03-30 EP disclosed
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2020-12-03 US disclosed
EP-3615084-A1 MEMBRANE ACTIVE MOLECULES Branequest, Inc. (US) 2020-03-04 EP disclosed
WO-2018200412-A1 MEMBRANE ACTIVE MOLECULES BraneQuest, Inc. (US) 2018-11-01 WO disclosed
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES KNOWLEDGE PHARMACEUTICALS INC. 2018-10-25 US disclosed
EP-1212295-B1 SUBSTITUTED ALPHA-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2008-10-01 EP disclosed
US-6495522-B1 PREVENTING APOPTOTIC CELL DEATH IN WHICH THE LOSS OF CELLS, TISSUES OR ENTIRE ORGANS OCCURS CYTOVIA, INC. 2002-12-17 US disclosed
EP-1212295-A1 SUBSTITUTED $g(a)-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-06-12 EP disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 WO 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 (3 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-20220296584-A1 Membrane Active Molecules GABRP, GRIN3A, GRIN2A TBXAS1 213/4885CYP11B1 884/4885CYP11B2 756/4885
US-20180303821-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A TBXAS1 213/4885CYP11B1 884/4885CYP11B2 756/4885
US-20200375958-A1 MEMBRANE ACTIVE MOLECULES GABRP, GRIN3A, GRIN2A TBXAS1 213/4885CYP11B1 884/4885CYP11B2 756/4885

“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.