SCHEMBL21079189

SCHEMBL21079189

CC(C)Oc1ccc(C(=O)O)cc1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4D Q08499 6/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 4/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL7362652 1.00 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL1029279 0.92 PDE4A (0.59) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL3545163 0.92 KMT2A (0.58) PDE4BCA12CA1CA2CA4
SCHEMBL15521569 0.86 PARP10 (0.51) PDE4APDE4DPDE4BPDE4CHTT
SCHEMBL3536547 0.85 CA12 (0.71) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL2564619 0.85 CA12 (0.71) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL24079281 0.84 MAPT (0.49) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL1015345 0.83 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL3924278 0.83 CA12 (0.73) PDE4APDE4DPDE4BPDE4CCA12
SCHEMBL7362237 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3590929-B1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC (CN) 2021-09-15 EP disclosed
US-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 US disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 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 (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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 PDE4A 333/4885PDE4D 323/4885PDE4B 330/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 PDE4A 333/4885PDE4D 323/4885PDE4B 330/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 PDE4A 666/4885PDE4D 972/4885PDE4B 935/4885

“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.