SCHEMBL17539986

SCHEMBL17539986

CC(O)CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 6/20 1.00
▸ TTR P02766 4/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ ABCB11 O95342 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ PGR P06401 2/20 0.70
▸ ADRA2A P08913 2/20 0.70
▸ TBXA2R P21731 2/20 0.70
▸ OPRM1 P35372 2/20 0.70
▸ SLC6A3 Q01959 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ BIRC5 O15392 1/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ DRD1 P21728 1/20 0.70
▸ PTGS1 P23219 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ PDE4A P27815 1/20 0.70
▸ ADORA1 P30542 1/20 0.70
▸ DRD3 P35462 1/20 0.70
▸ HRH3 Q9Y5N1 1/20 0.70

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
SCHEMBL19688950 0.96 EYA3 (0.92) EYA3TTRMEN1ABCB11LMNA
SCHEMBL25389973 0.92 EYA3 (0.85) EYA3TTRMEN1ABCB11LMNA
SCHEMBL15698071 0.88 EYA3 (1.00) EYA3TTRMEN1ABCB11LMNA
SCHEMBL15698032 0.84 EYA3 (0.84) EYA3TTRMEN1ABCB11LMNA
SCHEMBL19214707 0.84 EYA3 (0.91) EYA3TTRMEN1ABCB11LMNA
SCHEMBL7752224 0.83 EYA3 (0.74) EYA3TTRMEN1ABCB11LMNA
SCHEMBL6335384 0.83 EYA3 (1.00) EYA3TTRMEN1ABCB11LMNA
Benziodarone SCHEMBL308541 0.83 EYA3 (1.00) EYA3TTRMEN1ABCB11LMNA
Benziodarone SCHEMBL31326233 0.83 EYA3 (1.00) EYA3TTRMEN1ABCB11LMNA
SCHEMBL25389746 0.82 EYA3 (0.73) EYA3TTRMEN1ABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130312-A1 INHIBITORS OF EYA3-PROTEIN TYROSINE PHOSPHATASE IN DNA DAMAGE REPAIR SIGNALING OF PULMONARY ARTERIAL HYPERTENSION CHILDRENS HOSPITAL MED CT (US) 2021-05-06 — — US disclosed
WO-2019195118-A1 INHIBITORS OF EYA3-PROTEIN TYROSINE PHOSPHATASE IN DNA DAMAGE REPAIR SIGNALING OF PULMONARY ARTERIAL HYPERTENSION CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-10-10 — — WO disclosed
US-10221151-B2 Use of small molecule inhibitors targeting EYA tyrosine phosphatase CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2019-03-05 — — US disclosed
US-20170349562-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE CHILDREN'S HOSPITAL MEDICAL CENTER 2017-12-07 — — US disclosed
US-20170349562-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE CHILDREN'S HOSPITAL MEDICAL CENTER 2017-12-07 — — US disclosed
US-9725430-B2 Use of small molecule inhibitors targeting EYA tyrosine phosphatase CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-08-08 — — US disclosed
US-9725430-B2 Use of small molecule inhibitors targeting EYA tyrosine phosphatase CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-08-08 — — US disclosed
US-20160052904-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-25 — — US disclosed
US-20160052904-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-25 — — 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 (4 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-20170349562-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE EYA2, EYA3, PTPRO EYA3 2/4885TTR 1815/4885MEN1 2543/4885
US-10221151-B2 Use of small molecule inhibitors targeting EYA tyrosine phosphatase EYA2, EYA3, PTPRO EYA3 2/4885TTR 1815/4885MEN1 2543/4885
US-20210130312-A1 INHIBITORS OF EYA3-PROTEIN TYROSINE PHOSPHATASE IN DNA DAMAGE REPAIR SIGNALING OF PULMONARY ARTERIAL HYPERTENSION EYA3, EYA2, LIG3 EYA3 1/4885TTR 3493/4885MEN1 2596/4885
US-20160052904-A1 USE OF SMALL MOLECULE INHIBITORS TARGETING EYA TYROSINE PHOSPHATASE EYA2, EYA3, PTPRJ EYA3 2/4885TTR 2631/4885MEN1 1813/4885

“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.

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