SCHEMBL31108604

SCHEMBL31108604

COC(=O)c1cc(Oc2c(F)cc3[nH]ccc3c2C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 7/20 0.39
▸ PIM3 Q86V86 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ THRA P10827 3/20 0.34
▸ THRB P10828 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ SCN8A Q9UQD0 2/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL27275536 1.00 NR4A2 (0.39) NR4A2PIM3PIM1PRKAB2PRKAG1
SCHEMBL31108631 0.90 NR4A2 (0.39) NR4A2PIM3PIM1PRKAB2PRKAG1
SCHEMBL30967808 0.87 TRPA1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29237596 0.87 TRPA1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29237201 0.87 SCN9A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30217386 0.87 SCN9A (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30217071 0.83 TRPA1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29237459 0.83 TRPA1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31108517 0.78 RHEB (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27275532 0.78 RHEB (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 — — US disclosed
US-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 — — 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 NR4A2 4135/4885PIM3 1855/4885PIM1 2172/4885
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 NR4A2 2456/4885PIM3 2154/4885PIM1 3005/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 NR4A2 2456/4885PIM3 2154/4885PIM1 3005/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 NR4A2 2400/4885PIM3 2221/4885PIM1 3083/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 NR4A2 3689/4885PIM3 3490/4885PIM1 3821/4885

“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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