SCHEMBL21079315

SCHEMBL21079315

CC(C)Oc1ccc(C(=O)O)cc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL8555020 0.87 RXRA (0.53) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL12619056 0.85 RORC (0.44) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL21079316 0.84 MAPT (0.45) KMT2AHTTLMNAMAPK1CA12
SCHEMBL3545163 0.81 KMT2A (0.58) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL17014698 0.81 HTT (0.46) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL21079189 0.81 PDE4A (0.52) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL7362652 0.81 PDE4A (0.52) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL1091755 0.80 RAB9A (0.67) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL9005609 0.78 TTR (0.56) KMT2ARAB9AHTTLMNAMAPK1
SCHEMBL2543398 0.78 KMT2A (0.55) KMT2ARAB9AHTTLMNAMAPK1

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
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
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 (6 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 KMT2A 4616/4885RAB9A 2210/4885HTT 4401/4885
US-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 KMT2A 3072/4885RAB9A 3891/4885HTT 3653/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 KMT2A 919/4885RAB9A 2245/4885HTT 4423/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 KMT2A 919/4885RAB9A 2245/4885HTT 4423/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 KMT2A 4616/4885RAB9A 2210/4885HTT 4401/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 KMT2A 3072/4885RAB9A 3891/4885HTT 3653/4885

“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.