SCHEMBL25985482

SCHEMBL25985482

CC1(C)OB(c2ccc(C(O)(c3ccccc3)C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.54
LPL P06858 10/20 0.54
F11 P03951 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
P4HB P07237 1/20 0.44
NR1H2 P55055 2/20 0.42
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 1/20 0.39
NR1H3 Q13133 1/20 0.37

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
SCHEMBL25985599 0.84 LIPG (0.57) LIPGLPLF11F2PRSS1
SCHEMBL25985572 0.84 LIPG (0.57) LIPGLPLF11F2PRSS1
SCHEMBL870004 0.84 LIPG (0.61) LIPGLPLF11F2PRSS1
SCHEMBL25981613 0.83 LIPG (0.56) LIPGLPLF11F2PRSS1
SCHEMBL25981605 0.83 LIPG (0.59) LIPGLPLF11F2PRSS1
SCHEMBL1129175 0.83 LIPG (0.59) LIPGLPLF11F2PRSS1
SCHEMBL13507405 0.81 LPL (0.50) LIPGLPLF11F2PRSS1
SCHEMBL17457 0.81 NR1H2 (0.50) LIPGLPLF11F2PRSS1
SCHEMBL24028674 0.80 LIPG (0.65) LIPGLPLF11F2PRSS1
SCHEMBL19305515 0.80 LIPG (0.65) LIPGLPLF11F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 US disclosed
EP-4186906-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2023-05-31 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-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 LIPG 3280/4885LPL 3691/4885F11 347/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 LIPG 1966/4885LPL 3112/4885F11 902/4885

“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.