SCHEMBL12845155

SCHEMBL12845155

CC1(C)OB(c2ccc(C3=CCCCC3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.53
LPL P06858 12/20 0.53
P2RX7 Q99572 1/20 0.49
F11 P03951 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ESR2 Q92731 1/20 0.38
ACMSD Q8TDX5 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
SCHEMBL22448166 0.98 LIPG (0.51) LIPGLPLP2RX7F11CA1
SCHEMBL22448147 0.95 LIPG (0.54) LIPGLPLP2RX7F11CA1
SCHEMBL31334233 0.84 LIPG (0.43) LIPGLPLP2RX7ACMSD
SCHEMBL18015261 0.80 DGAT1 (0.44) LIPGLPLP2RX7F11
SCHEMBL30919843 0.79 P2RX7 (0.47) LIPGLPLP2RX7ACMSD
SCHEMBL17368539 0.79 P2RX7 (0.41) LIPGLPLP2RX7F11CA1
SCHEMBL31144766 0.77 ATM (0.47) LIPGLPLP2RX7
SCHEMBL25160238 0.77 P2RX7 (0.39) LIPGLPLP2RX7ESR2
SCHEMBL24608995 0.76 LIPG (0.83) LIPGLPLF11CA1CA2
SCHEMBL2707320 0.76 LIPG (0.83) LIPGLPLF11CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712147-B1 SGLTS INHIBITOR AND APPLICATION THEREOF SHANGDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-01-25 EP disclosed
US-10822365-B1 SGLTS inhibitor and application thereof SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2020-11-03 US disclosed
US-20200331950-A1 SGLTS INHIBITOR AND APPLICATION THEREOF SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-10-22 US disclosed
EP-3712147-A1 SGLTS INHIBITOR AND APPLICATION THEREOF Shangdong Danhong Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP disclosed
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 US disclosed
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-03-03 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 (5 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-10822365-B1 SGLTS inhibitor and application thereof SLC5A1, SLC5A2, SLC5A11 LIPG 731/4885LPL 1016/4885P2RX7 2944/4885
US-20200331950-A1 SGLTS INHIBITOR AND APPLICATION THEREOF SLC5A1, SLC5A2, SLC5A11 LIPG 731/4885LPL 1016/4885P2RX7 2944/4885
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 LIPG 4187/4885LPL 3579/4885P2RX7 2287/4885
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 LIPG 1301/4885LPL 3950/4885P2RX7 3525/4885
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 LIPG 4187/4885LPL 3579/4885P2RX7 2287/4885

“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.