SCHEMBL21133929

SCHEMBL21133929

CC(F)(F)c1ccc(CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.54
RXRB P28702 8/20 0.54
RXRG P48443 8/20 0.54
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 1/20 0.53
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 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
SCHEMBL18691026 0.85 RXRA (0.51) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL840854 0.83 NR1H4 (0.70) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL27940962 0.83 RXRA (0.58) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL267205 0.83 RXRA (0.68) RXRARXRBRXRGCA2CAMK2A
SCHEMBL19925355 0.83 RXRA (0.50) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL31481212 0.82 CA2 (0.53) CA2ALDH1A1
Hydrochloric Acid SCHEMBL2528372 0.82 NR1H4 (0.68) RXRARXRBRXRGNR1H4EPHX2
Hydrochloric Acid SCHEMBL2528774 0.82 RXRA (0.66) RXRARXRBRXRGCA2CAMK2A
Methane SCHEMBL17237476 0.82 NR1H4 (0.68) RXRARXRBRXRGNR1H4EPHX2
Water SCHEMBL28015733 0.82 RXRA (0.66) RXRARXRBRXRGCA2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-13 US disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
CN-116917289-A T-type calcium channel antagonists and uses thereof 小利兰·斯坦福大学董事会 2023-10-20 CN disclosed
WO-2022216386-A9 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-01 WO disclosed
WO-2022216386-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-10-13 WO disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 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 (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-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF CACNA1G, CACNA1H, CACNB2 RXRA 3024/4885RXRB 3216/4885RXRG 2926/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC RXRA 10/4885RXRB 7/4885RXRG 8/4885

“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.